SCHEMBL630103

SCHEMBL630103

O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ITGB1 P05556 5/20 0.48
ITGA5 P08648 3/20 0.48
ITGA4 P13612 1/20 0.47
BRD4 O60885 3/20 0.45
KCNQ1 P51787 1/20 0.45
EPHX2 P34913 1/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
BRD2 P25440 2/20 0.44
BRD3 Q15059 2/20 0.44
BRDT Q58F21 2/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ITGAV P06756 1/20 0.43
MEN1 O00255 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
SCHEMBL1380078 1.00 POLB (0.53) POLBITGB1ITGA5ITGA4BRD4
SCHEMBL1382352 0.95 POLB (0.51) POLBITGB1ITGA5ITGA4BRD4
SCHEMBL630024 0.94 POLB (0.54) POLBITGB1ITGA5ITGA4KCNQ1
SCHEMBL631349 0.94 POLB (0.54) POLBITGB1ITGA5ITGA4KCNQ1
SCHEMBL1381295 0.94 POLB (0.54) POLBITGB1ITGA5ITGA4KCNQ1
SCHEMBL631058 0.93 POLB (0.51) POLBITGB1ITGA5ITGA4KCNQ1
SCHEMBL13206964 0.93 POLB (0.51) POLBITGB1ITGA5ITGA4KCNQ1
SCHEMBL1383068 0.93 POLB (0.51) POLBITGB1ITGA5ITGA4KCNQ1
SCHEMBL630210 0.93 KCNQ1 (0.54) POLBITGB1ITGA5ITGA4KCNQ1
SCHEMBL630231 0.89 EPHX2 (0.44) POLBBRD4EPHX2GAALMNA

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
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
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 POLB 4105/4885ITGB1 3840/4885ITGA5 4336/4885

“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.