SCHEMBL6367683

SCHEMBL6367683

NN=CNc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC(CC(=O)O)c3cccnc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.48
ITGAV P06756 10/20 0.48
ITGA2B P08514 5/20 0.47
MAPT P10636 2/20 0.47
SUCNR1 Q9BXA5 2/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL6368255 0.90 ITGB3 (0.58) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL6367673 0.90 ITGB3 (0.49) ITGB3ITGAVITGA2BMAPTSUCNR1
SCHEMBL6368635 0.80 HTR2B (0.44) ITGB3ITGAVITGA2BMAPTMEN1
SCHEMBL6368243 0.80 ITGB3 (0.57) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7343426 0.79 SUCNR1 (0.53) ITGB3ITGAVITGA2BSUCNR1
SCHEMBL6367029 0.79 MEN1 (0.43) ITGB3ITGAVITGA2BMAPTMEN1
SCHEMBL6777410 0.79 SUCNR1 (0.54) ITGB3ITGAVITGA2BSUCNR1
SCHEMBL13418141 0.77 EEF2K (0.50) ITGB3ITGAVITGA2BSUCNR1L3MBTL1
SCHEMBL8369244 0.76 ITGB3 (0.61) ITGB3ITGAVITGA2BMAPTMEN1
SCHEMBL7194759 0.76 ITGB3 (0.52) ITGB3ITGAVITGA2BMEN1KMT2A

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 5 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
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 6/4885ITGA2B 8/4885

“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.