Sugi Predict

Sugi Predict / Compounds / SCHEMBL2928338

SCHEMBL2928338

SCHEMBL2928338

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CC2CN(Cc3ccccc3)CC(C1)S2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2 P11137 8/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ PTGS2 P35354 1/20 0.42
▸ HTR6 P50406 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ NHERF1 O14745 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ SOS1 Q07889 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTR2A P28223 1/20 0.37

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
SCHEMBL2927380 0.85 TRPV4 (0.54) MAP2CNR1PTGS2HTR6ALDH1A1
SCHEMBL2925201 0.80 MAP2 (0.49) MAP2SIRT2SIRT1
SCHEMBL2929668 0.79 MAP2 (0.44) MAP2CNR1PTGS2SIRT2SIRT1
SCHEMBL2924228 0.78 ACLY (0.46) MAP2CNR1PTGS2SIRT2SIRT1
SCHEMBL13771560 0.77 CNR1 (0.44) MAP2CNR1PTGS2HTR6SIRT2
SCHEMBL2924464 0.77 PTGS2 (0.43) MAP2CNR1PTGS2SIRT2SIRT1
SCHEMBL2925857 0.76 MAP2 (0.46) MAP2
SCHEMBL2923467 0.76 MAP2 (0.46) MAP2
SCHEMBL2923466 0.76 MAP2 (0.46) MAP2
SCHEMBL4931467 0.76 MAP2 (0.43) MAP2PTGS2SIRT1

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 11 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
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 — — US claimed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 — — US 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-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-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 732/4885CNR1 464/4885PTGS2 2169/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 MAP2 822/4885CNR1 3484/4885PTGS2 2116/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MAP2 732/4885CNR1 464/4885PTGS2 2169/4885

“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.