SCHEMBL944050

SCHEMBL944050

Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)c(S(=O)(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.54
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.51
RPS6KA3 P51812 1/20 0.51
ATIC P31939 2/20 0.51
SENP2 Q9HC62 5/20 0.50
SUMO2 P61956 4/20 0.50
SUMO1 P63165 4/20 0.50
SENP7 Q9BQF6 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
NT5E P21589 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
SENP1 Q9P0U3 3/20 0.48
SENP3 Q9H4L4 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CD40 P25942 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11128580 1.00 ENPP2 (0.54) ENPP2POLBCYP2D6RPS6KA3ATIC
SCHEMBL11821612 0.92 SUMO2 (0.50) ENPP2POLBATICSENP2SUMO2
SCHEMBL11821604 0.92 SUMO2 (0.50) ENPP2POLBATICSENP2SUMO2
SCHEMBL6125347 0.88 SENP2 (0.61) ENPP2POLBCYP2D6RPS6KA3ATIC
SCHEMBL13959639 0.87 CD40 (0.56) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL11765375 0.86 SENP2 (0.61) ENPP2POLBCYP2D6ATICSENP2
SCHEMBL10393912 0.84 ENPP2 (0.58) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL10393301 0.84 ENPP2 (0.58) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL9174992 0.84 RPS6KA3 (0.50) ENPP2POLBCYP2D6RPS6KA3ATIC
SCHEMBL8746181 0.84 RPS6KA3 (0.50) ENPP2POLBCYP2D6RPS6KA3ATIC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58021454-A None JP disclosed
US-11110121-B2 Compositions comprising hydrogen peroxide or hydrogen peroxide donor substances CLARIANT INTERNATIONAL LTD. (CH) 2021-09-07 US disclosed
US-10406135-B2 Compositions containing isosorbide monoester and alcohols that contain at least one aromatic group CLARIANT INTERNATIONAL LTD. (CH) 2019-09-10 US disclosed
US-9834635-B2 Polymers based on arcrylic, methacrylic or ethacrylic amidoalkyl sulfonic acid or salts and carboxyalky acrylate, methacrylate or ethacrylate or oligomers of said carboxy compounds CLARIANT INTERNATIONAL LTD. (CH) 2017-12-05 US disclosed
US-9592185-B2 Compositions containing hydrogen peroxide or substances releasing hydrogen peroxide CLARIANT INTERNATIONAL LTD. (CH) 2017-03-14 US disclosed
US-9526687-B2 Polymers based on sulfonic acids, amides and special cross-linking agents CLARIANT INTERNATIONAL LTD. (CH) 2016-12-27 US disclosed
US-9295626-B2 Compositions comprising isosorbide monoester and N-hydroxypyridones CLARIANT INTERNATIONAL LTD. (CH) 2016-03-29 US disclosed
US-20160000080-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALIPHATIC VICINAL DIOLS CLARIANT INTERNATIONAL LTD. (CH) 2016-01-07 US disclosed
US-20150342856-A1 Cationic Comb Copolymers, Preparation Thereof And Use Thereof In Cosmetic, Pharmaceutical And Dermatological Formulations CLARIANT FINANCE (BVI) LIMITED (VG) 2015-12-03 US disclosed
US-20140369943-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND HALOGENATED ANTIMICROBIAL ACTIVE COMPOUNDS CLARIANT INTERNATIONAL LTD. (CH) 2014-12-18 US disclosed
US-20140086854-A1 Polymers Based On Sulfonic Acids, Amides And Special Cross-Linking Agents CLARIANT FINANCE (BVI) LIMITED (VG) 2014-03-27 US disclosed
US-20130272984-A1 Compositions Containing Hydrogen Peroxide Or Substances Releasing Hydrogen Peroxide CLARIANT FINANCE (BVI) LIMITED (VG) 2013-10-17 US disclosed
US-20120114571-A1 Cationic Comb Copolymers, Preparation Thereof And Use Thereof In Cosmetic, Pharmaceutical And Dermatological Formulations CLARIANT FINANCE (BVI) LIMITED (VG) 2012-05-10 US disclosed
US-20120100084-A1 POLYMERS BASED ON ARCRYLIC, METHACRYLIC OR ETHACRYLIC AMIDOALKYL SULFONIC ACID OR SALTS AND CARBOXYALKY ACRYLATE, METHACRYLATE OR ETHACRYLATE OR OLIGOMERS OF SAID CARBOXY COMPOUNDS CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-26 US disclosed
US-20110229427-A1 Phosphoric Acid Esters Containing Phosphorus Atoms Bridged By Polyol Units CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-22 US disclosed
US-20110003010-A1 Phosphoric Acid Esters Containing Phosphorus Atoms Bridged By Diol Units CLARIANT FINANCE (BVI) LIMITED (VG) 2011-01-06 US disclosed
US-20100260696-A1 Aqueous Compositions Containing Alkoxylated Phosphoric Acid Triesters CLARIANT FINANCE (BVI) LIMITED (VG) 2010-10-14 US disclosed
US-20060188459-A1 Cosmetic, pharmaceutical or dermatological preparations comprising copolymer waxes HEINRICHS FRANZ-LEO 2006-08-24 US disclosed
US-20060104940-A1 Cosmetic, pharmaceutical and dermatological preparations comprising copolymer waxes CLARIANT GMBH 2006-05-18 US disclosed
JP-S5821454-A TRISAZO BLACK REACTIVE DYE SUMITOMO CHEM CO LTD 1983-02-08 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130272984-A1 Compositions Containing Hydrogen Peroxide Or Substances Releasing Hydrogen Peroxide LPO, GPX4, HPGD ENPP2 1842/4885POLB 238/4885CYP2D6 373/4885
US-20120100084-A1 POLYMERS BASED ON ARCRYLIC, METHACRYLIC OR ETHACRYLIC AMIDOALKYL SULFONIC ACID OR SALTS AND CARBOXYALKY ACRYLATE, METHACRYLATE OR ETHACRYLATE OR OLIGOMERS OF SAID CARBOXY COMPOUNDS ASS1, ADSL, ACMSD ENPP2 1026/4885POLB 1820/4885CYP2D6 2895/4885
US-20060104940-A1 Cosmetic, pharmaceutical and dermatological preparations comprising copolymer waxes CUTA, ACMSD, DEGS1 ENPP2 2523/4885POLB 245/4885CYP2D6 259/4885
US-20100260696-A1 Aqueous Compositions Containing Alkoxylated Phosphoric Acid Triesters HAO2, HAO1, ALOX15B ENPP2 72/4885POLB 293/4885CYP2D6 124/4885
US-11110121-B2 Compositions comprising hydrogen peroxide or hydrogen peroxide donor substances GPX4, LPO, CAT ENPP2 1968/4885POLB 147/4885CYP2D6 775/4885
US-20140086854-A1 Polymers Based On Sulfonic Acids, Amides And Special Cross-Linking Agents ACMSD, SRM, TAS1R1 ENPP2 4581/4885POLB 365/4885CYP2D6 2880/4885
US-20160000080-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALIPHATIC VICINAL DIOLS HSD17B12, DHCR7, ERG28 ENPP2 2444/4885POLB 230/4885CYP2D6 213/4885
US-20110003010-A1 Phosphoric Acid Esters Containing Phosphorus Atoms Bridged By Diol Units HAO2, HAO1, CYP24A1 ENPP2 969/4885POLB 259/4885CYP2D6 300/4885
US-20150342856-A1 Cationic Comb Copolymers, Preparation Thereof And Use Thereof In Cosmetic, Pharmaceutical And Dermatological Formulations C9, PARN, SGMS1 ENPP2 2391/4885POLB 39/4885CYP2D6 1294/4885
US-10406135-B2 Compositions containing isosorbide monoester and alcohols that contain at least one aromatic group ADH5, ADH1A, ADH1C ENPP2 4450/4885POLB 344/4885CYP2D6 135/4885
US-20140369943-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND HALOGENATED ANTIMICROBIAL ACTIVE COMPOUNDS FASN, HSD17B12, ELOVL3 ENPP2 3487/4885POLB 52/4885CYP2D6 73/4885
US-20120114571-A1 Cationic Comb Copolymers, Preparation Thereof And Use Thereof In Cosmetic, Pharmaceutical And Dermatological Formulations C9, PARN, SGMS1 ENPP2 2069/4885POLB 54/4885CYP2D6 1346/4885
US-20060188459-A1 Cosmetic, pharmaceutical or dermatological preparations comprising copolymer waxes CUTA, DEGS1, DSG1 ENPP2 1278/4885POLB 539/4885CYP2D6 407/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.