SCHEMBL630255

SCHEMBL630255

CC(C)Oc1ccc(CC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.55
ITGA4 P13612 7/20 0.55
ITGB7 P26010 2/20 0.55
ITGA5 P08648 4/20 0.54
KCNQ1 P51787 1/20 0.51
ITGAV P06756 5/20 0.51
ELOVL6 Q9H5J4 1/20 0.49
ITGA2 P17301 1/20 0.45
LMNA P02545 1/20 0.45
FKBP1A P62942 1/20 0.45
FKBP4 Q02790 1/20 0.45
FKBP5 Q13451 1/20 0.45
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL630249 1.00 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL630250 1.00 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL630254 1.00 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL5171521 0.92 KCNQ1 (0.60) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL630691 0.92 KCNQ1 (0.60) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL630690 0.92 KCNQ1 (0.60) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL630355 0.91 KCNQ1 (0.48) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL631258 0.91 KCNQ1 (0.48) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL631259 0.91 KCNQ1 (0.48) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL631047 0.90 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA5KCNQ1

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 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.