SCHEMBL6368243

SCHEMBL6368243

N=C(N)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC(CC(=O)O)c3ccccc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.57
ITGAV P06756 7/20 0.57
EEF2K O00418 3/20 0.50
ITGA2B P08514 2/20 0.50
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL7194759 0.94 ITGB3 (0.52) ITGB3ITGAVEEF2KITGA2BHDAC8
SCHEMBL7774747 0.91 ITGB3 (0.47) ITGB3ITGAVEEF2KITGA2BHDAC8
SCHEMBL6367673 0.90 ITGB3 (0.49) ITGB3ITGAVITGA2BL3MBTL1MEN1
SCHEMBL6366667 0.89 ITGB3 (0.60) ITGB3ITGAVEEF2KALDH1A1ATM
SCHEMBL6368255 0.89 ITGB3 (0.58) ITGB3ITGAVEEF2KITGA2BHDAC8
SCHEMBL2833035 0.84 ITGB3 (0.48) ITGB3ITGA2BHDAC8HDAC6MEN1
SCHEMBL6368621 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL6367010 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL7198477 0.83 MAPT (0.45) ITGB3ITGAVHDAC8HDAC6ALDH1A1
SCHEMBL7194908 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677308-B1 INTEGRIN ANTAGONISTS; ANTITUMOR, ANTIMETASTASIS, ANTICARCINOGENIC AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS; OSTEOPOROSIS G. D. SEARLE & CO. 2004-01-13 US claimed
EP-0889876-B1 META-SUBSTITUTED PHENYLENE SULPHONAMIDE DERIVATIVES SEARLE & CO (US) 2001-07-25 EP claimed
EP-0889876-A1 META-SUBSTITUTED PHENYLENE SULPHONAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1999-01-13 EP claimed
WO-1997036861-A1 META-SUBSTITUTED PHENYLENE SULPHONAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
US-7385080-B2 Method for producing optically active β-phenylalanine compounds AJINOMOTO CO., INC. (JP) 2008-06-10 US disclosed
US-20050176821-A1 Meta-substituted phenylene sulphonamide derivatives G. D. SEARLE & CO. (US) 2005-08-11 US disclosed
US-6677308-B1 INTEGRIN ANTAGONISTS; ANTITUMOR, ANTIMETASTASIS, ANTICARCINOGENIC AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS; OSTEOPOROSIS G. D. SEARLE & CO. 2004-01-13 US disclosed
EP-0889876-B1 META-SUBSTITUTED PHENYLENE SULPHONAMIDE DERIVATIVES SEARLE & CO (US) 2001-07-25 EP 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 (1 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-20050176821-A1 Meta-substituted phenylene sulphonamide derivatives ITGB3, ITGB1, ITGA5 ITGB3 1/4885ITGAV 6/4885EEF2K 3276/4885

“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.