SCHEMBL630210

SCHEMBL630210

COc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 6/20 0.54
HCRTR1 O43613 4/20 0.53
HCRTR2 O43614 4/20 0.53
POLB P06746 1/20 0.51
ITGB1 P05556 4/20 0.45
ITGA5 P08648 3/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
ITGA4 P13612 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CSF1R P07333 1/20 0.42
DAPK1 P53355 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1380078 0.93 POLB (0.53) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL630103 0.93 POLB (0.53) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL1381295 0.92 POLB (0.54) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL631349 0.92 POLB (0.54) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL630024 0.92 POLB (0.54) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL631058 0.91 POLB (0.51) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL13206964 0.91 POLB (0.51) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL1383068 0.91 POLB (0.51) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL1382352 0.91 POLB (0.51) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL630055 0.91 KCNQ1 (0.47) KCNQ1HCRTR1HCRTR2POLBCCNC

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 7 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
JP-4812758-B2 2011-11-09 JP 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 4358/4885HCRTR1 1329/4885HCRTR2 1757/4885

“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.