SCHEMBL630086

SCHEMBL630086

CC(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ITGB1 P05556 10/20 0.54
ITGA5 P08648 3/20 0.54
ITGA4 P13612 5/20 0.52
ITGB7 P26010 2/20 0.49
KCNQ1 P51787 1/20 0.49
ITGAV P06756 4/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
BDKRB1 P46663 5/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
ITGA2 P17301 1/20 0.45

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
SCHEMBL630087 1.00 POLB (0.56) POLBITGB1ITGA5ITGA4ITGB7
SCHEMBL630186 0.91 ITGB1 (0.56) POLBITGB1ITGA5ITGA4ITGB7
SCHEMBL630187 0.91 ITGB1 (0.56) POLBITGB1ITGA5ITGA4ITGB7
SCHEMBL5171462 0.90 POLB (0.51) POLBITGB1ITGA5ITGA4ITGB7
SCHEMBL630036 0.90 POLB (0.51) POLBITGB1ITGA5ITGA4ITGB7
SCHEMBL630037 0.90 POLB (0.51) POLBITGB1ITGA5ITGA4ITGB7
SCHEMBL629838 0.90 KCNQ1 (0.62) POLBITGB1ITGA5ITGA4ITGB7
SCHEMBL630658 0.90 ITGB1 (0.53) POLBITGB1ITGA5ITGA4ITGB7
SCHEMBL5173103 0.90 KCNQ1 (0.62) POLBITGB1ITGA5ITGA4ITGB7
SCHEMBL630656 0.90 ITGB1 (0.53) POLBITGB1ITGA5ITGA4ITGB7

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP disclosed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 POLB 4105/4885ITGB1 3840/4885ITGA5 4336/4885

“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.