SCHEMBL2930135

SCHEMBL2930135

NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.42
SIRT1 Q96EB6 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
PRNP P04156 1/20 0.38
CYP2C9 P11712 1/20 0.38
PPARG P37231 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
BAZ2B Q9UIF8 1/20 0.34

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
SCHEMBL2931903 0.89 RXFP1 (0.46) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL2924649 0.89 RXFP1 (0.46) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL2925201 0.86 MAP2 (0.49) SIRT1
SCHEMBL2927638 0.86 CA1 (0.35) CA1CA2CA12CA9CDK1
SCHEMBL2924397 0.86 ALDH1A1 (0.41) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL3606849 0.86 RXFP1 (0.40) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL3606479 0.86 MAPK1 (0.43) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL3609170 0.85 MAPK1 (0.45) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL3614435 0.84 RXFP1 (0.40) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL3609347 0.84 SIRT1 (0.40) RXFP1SIRT1CYP1A2CYP2C19PRNP

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 RXFP1 706/4885SIRT1 2309/4885CYP1A2 3059/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 RXFP1 4667/4885SIRT1 1401/4885CYP1A2 4768/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 RXFP1 706/4885SIRT1 2309/4885CYP1A2 3059/4885

“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.