SCHEMBL2929668

SCHEMBL2929668

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCC(CCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 7/20 0.44
CNR1 P21554 2/20 0.42
SPR P35270 1/20 0.42
ACLY P53396 1/20 0.41
PTGS2 P35354 2/20 0.41
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL2924464 0.96 PTGS2 (0.43) MAP2CNR1SPRACLYPTGS2
SCHEMBL2924228 0.87 ACLY (0.46) MAP2CNR1ACLYPTGS2SIRT2
SCHEMBL3617971 0.82 MAP2 (0.46) MAP2SIRT2SIRT1KDM4E
SCHEMBL2928134 0.82 MAP2 (0.41) MAP2CNR1PTGS2SIRT2SIRT1
SCHEMBL2927380 0.81 TRPV4 (0.54) MAP2CNR1PTGS2KDM4EALDH1A1
SCHEMBL3611987 0.80 MAP2 (0.47) MAP2SIRT2SIRT1KDM4E
SCHEMBL2923550 0.79 MAP2 (0.43) MAP2CNR1PTGS2SIRT2SIRT1
SCHEMBL2929461 0.79 MAP2 (0.46) MAP2SIRT1KDM4E
SCHEMBL2924412 0.79 HDAC3 (0.40) KDM4EALDH1A1
SCHEMBL2928338 0.79 MAP2 (0.44) MAP2CNR1PTGS2HTR2ASIRT2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP claimed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US claimed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP claimed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US claimed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP claimed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US claimed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 WO claimed
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 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 (3 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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MAP2 732/4885CNR1 464/4885SPR 1801/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 MAP2 822/4885CNR1 3484/4885SPR 2088/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MAP2 732/4885CNR1 464/4885SPR 1801/4885

“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.