SCHEMBL2928134

SCHEMBL2928134

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCCC(CC(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 8/20 0.41
PTGS2 P35354 1/20 0.38
KIF11 P52732 1/20 0.38
BTK Q06187 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIRT1 Q96EB6 3/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
SIRT3 Q9NTG7 2/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL2924228 0.88 ACLY (0.46) MAP2PTGS2KIF11SIRT1SIRT2
SCHEMBL13765443 0.87 MAP2 (0.40) MAP2PTGS2KIF11KDM4ETSHR
SCHEMBL2924464 0.87 PTGS2 (0.43) MAP2PTGS2KIF11SIRT1SIRT2
SCHEMBL3616596 0.85 MAP2 (0.46) MAP2KIF11BTKSIRT1SIRT2
SCHEMBL2927238 0.83 MAP2 (0.54) MAP2PTGS2TSHR
SCHEMBL2928734 0.83 MAP2 (0.51) MAP2PTGS2TSHRSIRT1SIRT2
SCHEMBL2924539 0.82 MAP2 (0.53) MAP2PTGS2TSHR
SCHEMBL2929668 0.82 MAP2 (0.44) MAP2PTGS2KDM4ESIRT1SIRT2
SCHEMBL6767523 0.81 MAP2 (0.41) MAP2PTGS2KDM4ETSHRHSD17B10
SCHEMBL3617971 0.81 MAP2 (0.46) MAP2KDM4ETSHRHSD17B10SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP 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-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 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 (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 732/4885PTGS2 2169/4885KIF11 1961/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 MAP2 822/4885PTGS2 2116/4885KIF11 1609/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MAP2 732/4885PTGS2 2169/4885KIF11 1961/4885

“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.