SCHEMBL6974158

SCHEMBL6974158

CC(C)OC(=O)C(Cc1cc2cc(CCC(=O)NC3=NCCCN3)ccc2o1)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.53
ITGAV P06756 18/20 0.53
ITGA2B P08514 16/20 0.53
ITGB1 P05556 1/20 0.37
ITGB5 P18084 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
F2 P00734 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
SCHEMBL6964924 0.91 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6832543 0.82 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7394748 0.82 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL6977082 0.80 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6964937 0.78 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6971933 0.78 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6960533 0.77 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7222557 0.77 ITGB3 (0.38) ITGB3ITGAVITGA2B
SCHEMBL6969498 0.76 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6966661 0.76 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5

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-6586442-B2 Benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them CARNIATO DENIS (FR) 2003-07-01 US claimed
EP-1133491-B1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2003-02-19 EP claimed
US-20020187976-A1 New benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2002-12-12 US claimed
US-6458801-B1 PHARMACEUTICALLY ACCEPTABLE SALTS AND ITS PRODRUG USEFUL FOR TREATING OSTEOPOROSIS. AVENTIS PHARMA S.A. (FR) 2002-10-01 US claimed
US-6586442-B2 Benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them CARNIATO DENIS (FR) 2003-07-01 US disclosed
US-20020187976-A1 New benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2002-12-12 US disclosed
US-6458801-B1 PHARMACEUTICALLY ACCEPTABLE SALTS AND ITS PRODRUG USEFUL FOR TREATING OSTEOPOROSIS. AVENTIS PHARMA S.A. (FR) 2002-10-01 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 (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-20020187976-A1 New benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them CYP2F1, CYP2C19, CYP2B6 ITGB3 3038/4885ITGAV 3583/4885ITGA2B 2922/4885

“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.