SCHEMBL216845

SCHEMBL216845

[CH2]Cc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.64
CA1 P00915 12/20 0.64
CA12 O43570 11/20 0.64
CA9 Q16790 11/20 0.64
CA14 Q9ULX7 7/20 0.64
CA4 P22748 5/20 0.64
CA6 P23280 5/20 0.64
CA5A P35218 5/20 0.64
CA7 P43166 5/20 0.64
CA5B Q9Y2D0 5/20 0.64
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
AGO2 Q9UKV8 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL309694 0.80 CA2 (0.73) CA2CA1CA12CA9CA14
SCHEMBL202948 0.79 CA2 (0.81) CA2CA1CA12CA9CA14
Sulfamide SCHEMBL5585371 0.78 CA2 (0.70) CA2CA1CA12CA9CA14
Mafenide SCHEMBL9295695 0.78 CA2 (1.00) CA2CA1CA12CA9CA14
SCHEMBL1804376 0.78 CA2 (0.67) CA2CA1CA12CA9CA14
Mafenide SCHEMBL41628 0.78 CA2 (1.00) CA2CA1CA12CA9CA14
SCHEMBL428943 0.77 CA2 (0.62) CA2CA1CA12CA9CA14
SCHEMBL17105794 0.77 CA2 (0.61) CA2CA1CA12CA9CA14
SCHEMBL13083212 0.76 CA2 (0.64) CA2CA1CA12CA9CA14
Mafenide SCHEMBL425524 0.76 CA2 (1.00) CA2CA1CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426429-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-04-23 US claimed
EP-1776350-B1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE ( BACE ) JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP claimed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US claimed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US claimed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US claimed
EP-1635839-B1 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-01 EP claimed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US claimed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US claimed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US claimed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US claimed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 US claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
US-20040029811-A1 N-alkylglycine trimeres capable of protecting neurons against excitotoxic aggressions and compositions containing such trimeres DIVERDRUGS, S.L. (ES) 2004-02-12 US claimed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
EP-1338604-A1 N-ALKYLGLYCINE TRIMERES CAPABLE OF PROTECTING NEURONS AGAINST EXCITOTOXIC AGGRESSIONS AND COMPOSITIONS CONTAINING SAID TRIMERES Diverdrugs, S.L. (ES) 2003-08-27 EP claimed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed

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

For each of this compound's patents that has machine-readable text (7 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-20040029811-A1 N-alkylglycine trimeres capable of protecting neurons against excitotoxic aggressions and compositions containing such trimeres GRM1, GRM2, GRIN1 CA2 3181/4885CA1 2307/4885CA12 4805/4885
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CA2 3449/4885CA1 3692/4885CA12 4594/4885
US-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 CA2 3403/4885CA1 1912/4885CA12 2538/4885
US-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 CA2 3109/4885CA1 2600/4885CA12 3880/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 CA2 1005/4885CA1 1832/4885CA12 3142/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 CA2 3999/4885CA1 3205/4885CA12 2506/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CA2 3449/4885CA1 3692/4885CA12 4594/4885

“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.