SCHEMBL942276

SCHEMBL942276

CC(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.51
TIMP3 P35625 4/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
USP2 O75604 2/20 0.49
RECQL P46063 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPSE Q9Y251 4/20 0.45
MAPT P10636 3/20 0.45
PRMT1 Q99873 2/20 0.45
ENPP3 O14638 1/20 0.45
ENTPD3 O75355 1/20 0.45
NR1I2 O75469 1/20 0.45
PRKD3 O94806 1/20 0.45
TDP2 O95551 1/20 0.45
CBX7 O95931 1/20 0.45
NSD2 O96028 1/20 0.45
ESR1 P03372 1/20 0.45

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
SCHEMBL10948594 0.90 NT5E (0.44) CASP6TIMP3KMT2AMEN1USP2
SCHEMBL9723988 0.89 CASP6 (0.48) CASP6TIMP3KMT2AMEN1USP2
SCHEMBL8417845 0.89 TIMP3 (0.53) CASP6TIMP3KMT2AMEN1USP2
SCHEMBL10791619 0.87 TIMP3 (0.47) CASP6TIMP3KMT2AMEN1USP2
SCHEMBL11512263 0.87 TIMP3 (0.68) CASP6TIMP3KMT2AMEN1USP2
SCHEMBL1804480 0.86 TIMP3 (0.51) CASP6TIMP3KMT2AMEN1USP2
SCHEMBL9697630 0.86 NT5E (0.53) CASP6TIMP3KMT2AMEN1USP2
SCHEMBL8114507 0.86 TIMP3 (0.48) CASP6TIMP3KMT2AMEN1USP2
SCHEMBL10787792 0.86 TIMP3 (0.48) CASP6TIMP3KMT2AMEN1USP2
SCHEMBL10792013 0.85 TIMP3 (0.47) TIMP3KMT2AMEN1USP2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252278-A2 Disinfecting agents and their use in disinfecting the skin and mucous membranes Henkel Kommanditgesellschaft auf Aktien (DE) 1988-01-13 EP claimed
EP-0045488-B1 WATER-SOLUBLE FIBRE-REACTIVE COMPOUNDS AND THEIR USE IN FINISHING TEXTILES, AS WELL AS THE BETA-CHLOROETHYL-SULFONYL-METHYL-BENZOIC-ACID HALOGENIDES, AND THEIR USE AS A FIBRE-REACTIVE ANCHOR HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-19 EP claimed
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-20170105910-A1 UV FILTER CAPSULE BASF SE (DE) 2017-04-20 US disclosed
US-9295626-B2 Compositions comprising isosorbide monoester and N-hydroxypyridones CLARIANT INTERNATIONAL LTD. (CH) 2016-03-29 US disclosed
US-8962796-B2 Modified variant Bowman Birk protease inhibitors DANISCO US INC. (US) 2015-02-24 US disclosed
US-20140369943-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND HALOGENATED ANTIMICROBIAL ACTIVE COMPOUNDS CLARIANT INTERNATIONAL LTD. (CH) 2014-12-18 US disclosed
US-20140348763-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALCOHOLS THAT CONTAIN AT LEAST ONE AROMATIC GROUP CLARIANT INTERNATIONAL LTD. (CH) 2014-11-27 US disclosed
US-20140343171-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTER AND N-HYDROXYPYRIDONES CLARIANT INTERNATIONAL LTD. (CH) 2014-11-20 US disclosed
US-20140329870-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND ISOTHIAZOLINONES CLARIANT INTERNATIONAL LTD. (CH) 2014-11-06 US disclosed
EP-0017768-A1 Reactive dyestuffs and their use BASF Aktiengesellschaft (DE) 1980-10-29 EP disclosed
EP-0013936-A1 Reactive azo dyestuffs, their preparation and their use in dyeing materials containing hydroxyl groups and amide groups BAYER AG (DE) 1980-08-06 EP disclosed
US-4134887-A FIBER-REACTIVE HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-4126609-A AZO DYESTUFF WITH A FIBER-REACTIVE GROUP ATTACHED TO A NAPHTHALENE SULPHONIC ACID COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1978-11-21 US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed
US-4066638-A WATER-SOLUBLE FIBER REACTIVE PHENYL-AZO-NAPHTHYL DYESTUFFS CONTAINING TWO SULFO GROUPS IN THE PHENYL MOIETY HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-03 US disclosed
US-4054559-A Reactive disazo monohalogenotriazine dyestuffs NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1977-10-18 US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-4045428-A Water-soluble reactive naphthylazonaphthyl dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-30 US 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 (6 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-20140348763-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALCOHOLS THAT CONTAIN AT LEAST ONE AROMATIC GROUP ADH5, ADH1A, ADH1C CASP6 1529/4885TIMP3 3903/4885KMT2A 4657/4885
US-20170105910-A1 UV FILTER CAPSULE UROD, MITF, NISCH CASP6 2724/4885TIMP3 3252/4885KMT2A 2903/4885
US-10406135-B2 Compositions containing isosorbide monoester and alcohols that contain at least one aromatic group ADH5, ADH1A, ADH1C CASP6 1529/4885TIMP3 3903/4885KMT2A 4657/4885
US-20140343171-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTER AND N-HYDROXYPYRIDONES HSD17B3, HSD3B1, HSD3B2 CASP6 1509/4885TIMP3 3169/4885KMT2A 4640/4885
US-20140369943-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND HALOGENATED ANTIMICROBIAL ACTIVE COMPOUNDS FASN, HSD17B12, ELOVL3 CASP6 1018/4885TIMP3 2103/4885KMT2A 4776/4885
US-20140329870-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND ISOTHIAZOLINONES HSD17B12, COASY, UGT2B17 CASP6 1558/4885TIMP3 3861/4885KMT2A 4777/4885

“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.