SCHEMBL631047

SCHEMBL631047

CC(C)Oc1ccc(CC(NC(=O)C2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.53
ITGA4 P13612 7/20 0.53
ITGB7 P26010 3/20 0.53
KCNQ1 P51787 1/20 0.53
ITGA5 P08648 3/20 0.52
POLB P06746 1/20 0.51
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
BDKRB1 P46663 3/20 0.46
ITGAV P06756 3/20 0.45
ITGA2 P17301 1/20 0.43
LMNA P02545 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
SCHEMBL5171082 1.00 ITGB1 (0.53) ITGB1ITGA4ITGB7KCNQ1ITGA5
SCHEMBL631046 1.00 ITGB1 (0.53) ITGB1ITGA4ITGB7KCNQ1ITGA5
SCHEMBL1384581 0.92 POLB (0.52) ITGB1ITGA4ITGB7KCNQ1ITGA5
SCHEMBL630359 0.92 POLB (0.52) ITGB1ITGA4ITGB7KCNQ1ITGA5
SCHEMBL629837 0.92 KCNQ1 (0.62) ITGB1ITGA4ITGB7KCNQ1ITGA5
SCHEMBL629838 0.92 KCNQ1 (0.62) ITGB1ITGA4ITGB7KCNQ1ITGA5
SCHEMBL5173103 0.92 KCNQ1 (0.62) ITGB1ITGA4ITGB7KCNQ1ITGA5
SCHEMBL13206951 0.91 KCNQ1 (0.49) ITGB1ITGA4ITGB7KCNQ1ITGA5
SCHEMBL630250 0.90 ITGB1 (0.55) ITGB1ITGA4ITGB7KCNQ1ITGA5
SCHEMBL630254 0.90 ITGB1 (0.55) ITGB1ITGA4ITGB7KCNQ1ITGA5

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 3 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

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 ITGB1 3840/4885ITGA4 4199/4885ITGB7 3695/4885

“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.