SCHEMBL630685

SCHEMBL630685

CNC(=O)[C@@H](N)Cc1ccc(OC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
ACACB O00763 5/20 0.52
GLA P06280 1/20 0.50
PARP10 Q53GL7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
KMT2A Q03164 2/20 0.44
CSK P41240 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TSPO P30536 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NLRP1 Q9C000 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
SCHEMBL6242805 0.84 LDHA (0.56) ACACBCYP1A2CYP2D6CYP2C19
SCHEMBL6242807 0.84 LDHA (0.56) ACACBCYP1A2CYP2D6CYP2C19
SCHEMBL3634298 0.84 LDHA (0.56) ACACBCYP1A2CYP2D6CYP2C19
SCHEMBL13125638 0.83 POLB (0.57) POLBACACBGLAPARP10KDM4E
SCHEMBL22444787 0.83 POLB (0.57) POLBACACBGLAPARP10KDM4E
Hydrochloric Acid SCHEMBL10890977 0.83 LDHA (0.54) HDAC8CYP1A2CYP2D6CYP2C19
SCHEMBL2803084 0.83 POLB (0.60) POLBACACBPARP10KDM4ENPC1
SCHEMBL19759402 0.83 POLB (0.60) POLBACACBPARP10KDM4ENPC1
SCHEMBL23338258 0.82 POLB (0.49) POLBACACBGLAPARP10KDM4E
SCHEMBL10825144 0.81 ACACB (0.52) ACACBHDAC8CSK

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
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
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

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 4105/4885ACACB 3477/4885GLA 3624/4885

“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.