SCHEMBL629996

SCHEMBL629996

CC(C)Oc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.48
POLB P06746 1/20 0.46
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
BDKRB1 P46663 11/20 0.43
ITGB1 P05556 4/20 0.42
ITGA4 P13612 2/20 0.42
ITGB7 P26010 1/20 0.42
CACNA1B Q00975 1/20 0.40
ITGA5 P08648 2/20 0.40
MCL1 Q07820 1/20 0.39

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
SCHEMBL1383354 1.00 KCNQ1 (0.48) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL630034 0.93 KCNQ1 (0.56) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL1380661 0.93 KCNQ1 (0.56) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL631253 0.90 BDKRB1 (0.42) KCNQ1POLBBDKRB1CACNA1B
SCHEMBL630359 0.90 POLB (0.52) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL1384581 0.90 POLB (0.52) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL5171082 0.88 ITGB1 (0.53) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL631047 0.88 ITGB1 (0.53) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL631046 0.88 ITGB1 (0.53) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL630109 0.88 MEN1 (0.48) KCNQ1POLBHCRTR1HCRTR2BDKRB1

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
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-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
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 KCNQ1 4358/4885POLB 4105/4885HCRTR1 1329/4885

“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.