SCHEMBL1593097

SCHEMBL1593097

N=C(N)Nc1cccc(S(N)(=O)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.64
CA2 P00918 16/20 0.64
CA9 Q16790 11/20 0.64
CA12 O43570 10/20 0.64
MAPT P10636 2/20 0.64
POLB P06746 1/20 0.57

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
Hydrochloric Acid SCHEMBL2433442 0.98 CA1 (0.62) CA1CA2CA9CA12MAPT
SCHEMBL13373495 0.85 CA1 (0.62) CA1CA2CA9CA12MAPT
SCHEMBL1592707 0.85 LMNA (0.53) CA1CA2CA9CA12MAPT
SCHEMBL359383 0.84 CA1 (0.73) CA1CA2CA9CA12MAPT
SCHEMBL4522845 0.83 CA1 (0.64) CA1CA2CA9CA12MAPT
SCHEMBL361047 0.83 CA1 (0.64) CA1CA2CA9CA12MAPT
SCHEMBL4151992 0.82 LMNA (0.52) CA1CA2CA9CA12MAPT
SCHEMBL27747721 0.81 CA1 (0.76) CA1CA2CA9CA12MAPT
SCHEMBL7495027 0.79 CA1 (0.69) CA1CA2CA9CA12MAPT
Nitric Acid SCHEMBL2075198 0.79 LMNA (0.48) CA1CA2CA9CA12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844657-B1 THERAPEUTIC COMPOUNDS CHANGZHOU LE SUN PHARMACEUTICALS LTD (CN) 2017-04-12 EP disclosed
US-9062039-B2 Therapeutic compounds CHANGZHOU LE SUN PHARMACEUTICALS LIMITED (CN) 2015-06-23 US disclosed
US-20150105413-A1 THERAPEUTIC COMPOUNDS CHANGZHOU LE SUN PHARMACEUTICALS LIMITED (CN) 2015-04-16 US disclosed
EP-2844657-A1 THERAPEUTIC COMPOUNDS Changzhou Le Sun Pharmaceuticals Limited (CN) 2015-03-11 EP disclosed
WO-2013156780-A1 THERAPEUTIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-10-24 WO disclosed
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
EP-1692140-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-08-23 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO disclosed
US-20050228005-A1 Protein kinase inhibitors and uses thereof MOON YOUNG C 2005-10-13 US disclosed
US-20050148603-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005037843-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-28 WO disclosed
US-6825190-B2 4-(1,2- OR 2,1-BENZOXAZOL-5-YL)-2-AMINOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED 2004-11-30 US disclosed
WO-2002102800-A9 5-(2-AMINOPYRIMIDIN-4-YL) BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2004-05-06 WO disclosed
EP-1399440-A1 5-(2-AMINOPYRIMIDIN-4-YL)BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2004-03-24 EP disclosed
US-20040009996-A1 Protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-01-15 US disclosed
WO-2002102800-A1 5-(2-AMINOPYRIMIDIN-4-YL) BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-12-27 WO 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 (5 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-20050148603-A1 Compositions useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K6 CA1 4066/4885CA2 2721/4885CA9 3918/4885
US-20150105413-A1 THERAPEUTIC COMPOUNDS CDK9, CDK19, CDK2 CA1 2543/4885CA2 768/4885CA9 230/4885
US-20040009996-A1 Protein kinase inhibitors and uses thereof GSK3A, GSK3B, JAK3 CA1 4105/4885CA2 2908/4885CA9 2912/4885
US-20050228005-A1 Protein kinase inhibitors and uses thereof GSK3A, JAK3, GSK3B CA1 4022/4885CA2 2981/4885CA9 2991/4885
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 CA1 4066/4885CA2 2721/4885CA9 3918/4885

“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.