SCHEMBL6368255

SCHEMBL6368255

NN=CNc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC(CC(=O)O)c3ccccc3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.58
ITGAV P06756 10/20 0.58
EEF2K O00418 3/20 0.48
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ITGA2B P08514 2/20 0.45
ITGB1 P05556 1/20 0.43
ITGB5 P18084 1/20 0.43

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
SCHEMBL6367683 0.90 ITGB3 (0.48) ITGB3ITGAVMEN1KMT2AL3MBTL1
SCHEMBL6368243 0.89 ITGB3 (0.57) ITGB3ITGAVEEF2KHDAC8HDAC6
SCHEMBL6368635 0.85 HTR2B (0.44) ITGB3ITGAVHDAC8HDAC6MEN1
SCHEMBL6367029 0.84 MEN1 (0.43) ITGB3ITGAVHDAC8HDAC6MEN1
SCHEMBL8369244 0.83 ITGB3 (0.61) ITGB3ITGAVMEN1KMT2AITGA2B
SCHEMBL7194759 0.83 ITGB3 (0.52) ITGB3ITGAVEEF2KHDAC8HDAC6
SCHEMBL7856436 0.82 ITGB3 (0.48) ITGB3MEN1KMT2AITGA2B
SCHEMBL7457204 0.80 ITGB3 (0.53) ITGB3HDAC8HDAC6MEN1KMT2A
SCHEMBL7774747 0.80 ITGB3 (0.47) ITGB3ITGAVEEF2KHDAC8HDAC6
SCHEMBL6367673 0.79 ITGB3 (0.49) ITGB3ITGAVMEN1KMT2AL3MBTL1

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 7 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-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.