SCHEMBL630790

SCHEMBL630790

CC(C)Oc1ccc(C[CH]C(=O)NC(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.53
POLB P06746 1/20 0.50
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
PARP10 Q53GL7 1/20 0.49
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.42
ACACB O00763 4/20 0.42
NR1H4 Q96RI1 1/20 0.42
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
ALDH1A3 P47895 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL630927 0.78 ACACB (0.44) CYP1A2CYP2D6KDM4ENPC1KMT2A
SCHEMBL7358482 0.78 CA2 (0.46) POLBGAACYP1A2CYP2D6CYP2C19
SCHEMBL5173124 0.77 ALDH1A1 (0.38) GLAPOLBGAACYP1A2CYP2D6
SCHEMBL3345536 0.76 HTT (0.41) CYP2D6CYP2C19NPC1RAB9AALDH1A1
SCHEMBL5322177 0.75 NPC1 (0.62) GLAPOLBGAACYP1A2CYP2D6
SCHEMBL28488100 0.74 POLB (0.54) GLAPOLBGAACYP1A2CYP2D6
SCHEMBL4831945 0.74 FFAR1 (0.46) GAAKDM4EKMT2ANR1H4ALDH1A1
SCHEMBL13735220 0.73 ALDH1A3 (0.59) GLAPOLBGAACYP1A2CYP2D6
SCHEMBL13190906 0.73 KDM4E (0.60) GLAPOLBGAACYP1A2CYP2D6
SCHEMBL6081274 0.73 POLB (0.71) GLAPOLBGAACYP1A2CYP2D6

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 GLA 3624/4885POLB 4105/4885GAA 2479/4885

“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.