SCHEMBL630124

SCHEMBL630124

Cc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
KCNQ1 P51787 1/20 0.48
BDKRB1 P46663 11/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB1 P05556 3/20 0.45
ITGA5 P08648 2/20 0.45
ITGA4 P13612 2/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 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
SCHEMBL13207012 0.89 POLB (0.50) POLBKCNQ1BDKRB1KMT2AITGB1
SCHEMBL8269050 0.88 ITGB1 (0.56) MEN1KMT2AITGB1ITGA5ITGA4
SCHEMBL1384096 0.88 POLB (0.53) POLBKCNQ1BDKRB1HCRTR1HCRTR2
SCHEMBL631527 0.88 POLB (0.53) POLBKCNQ1BDKRB1HCRTR1HCRTR2
SCHEMBL1382749 0.87 KCNQ1 (0.47) POLBKCNQ1BDKRB1ITGB1ITGA5
SCHEMBL630049 0.87 KCNQ1 (0.47) POLBKCNQ1BDKRB1ITGB1ITGA5
SCHEMBL629927 0.87 KCNQ1 (0.47) POLBKCNQ1BDKRB1ITGB1ITGA5
SCHEMBL1380661 0.86 KCNQ1 (0.56) POLBKCNQ1BDKRB1KMT2AITGB1
SCHEMBL630034 0.86 KCNQ1 (0.56) POLBKCNQ1BDKRB1KMT2AITGB1
SCHEMBL8268322 0.86 POLB (0.47) POLBKCNQ1BDKRB1

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-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 POLB 4105/4885KCNQ1 4358/4885BDKRB1 2893/4885

“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.