SCHEMBL631367

SCHEMBL631367

NC(=O)Oc1ccc(C[CH]C(=O)NC2CCOCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.34
HPGDS O60760 1/20 0.34
CTSD P07339 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM1A O60341 1/20 0.33
LIPE Q05469 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
BTK Q06187 1/20 0.33
P2RX3 P56373 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
CHEK1 O14757 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL630944 0.84 EPHX2 (0.38) EPHX2KDM4EKMT2AMEN1LTA4H
SCHEMBL631341 0.83 SMN1; SMN2 (0.39) EPHX2HPGDSCTSDNPC1RAB9A
SCHEMBL630170 0.82 MEN1 (0.35) HPGDSKMT2AKDM1ANPC1RAB9A
SCHEMBL630133 0.81 MEN1 (0.51) CTSDKMT2AKDM1ANPC1RAB9A
SCHEMBL630623 0.74 MAPT (0.52) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6164707 0.73 CYP1A2 (0.45) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2985313 0.70 F2 (0.47) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL630443 0.68 ELANE (0.37) KMT2AMEN1
SCHEMBL4081806 0.68 TSHR (0.38) EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL631182 0.68 MAPT (0.45) EPHX2KMT2ANPC1RAB9ASMN1; SMN2

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 9 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
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP 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 EPHX2 4482/4885HPGDS 2977/4885CTSD 3699/4885

“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.