SCHEMBL6977400

SCHEMBL6977400

C#CCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.55
CTSK P43235 5/20 0.54
CTSS P25774 5/20 0.54
CTSL P07711 4/20 0.54
CTSB P07858 4/20 0.54
PPARA Q07869 3/20 0.53
PPARG P37231 1/20 0.53
CTRB1 P17538 2/20 0.51
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL29398507 1.00 TACR1 (0.55) TACR1CTSKCTSSCTSLCTSB
SCHEMBL28518198 0.86 TACR1 (0.53) TACR1CTSKCTSSCTSLCTSB
SCHEMBL6560581 0.86 CTSS (0.64) TACR1CTSKCTSSCTSLCTSB
SCHEMBL6560575 0.86 CTSS (0.64) TACR1CTSKCTSSCTSLCTSB
SCHEMBL15527971 0.86 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL7233479 0.84 SYK (0.55) TACR1CTSKCTSSCTSLCTSB
SCHEMBL201710 0.82 PPARA (0.57) TACR1CTSKCTSSCTSLCTSB
SCHEMBL220648 0.82 TACR1 (0.68) TACR1CTSKCTSSCTSLCTSB
SCHEMBL295865 0.82 PPARA (0.57) TACR1CTSKCTSSCTSLCTSB
SCHEMBL7372270 0.82 TACR1 (0.68) TACR1CTSKCTSSCTSLCTSB

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 6 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 disclosed
EP-1133491-B1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2003-02-19 EP 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
EP-1133491-A1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-09-19 EP disclosed
WO-2000031070-A1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-06-02 WO 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 TACR1 3775/4885CTSK 884/4885CTSS 443/4885

“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.