SCHEMBL629876

SCHEMBL629876

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.56
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
HDAC8 Q9BY41 1/20 0.46
PPARG P37231 3/20 0.45
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
GPR88 Q9GZN0 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
LNPEP Q9UIQ6 2/20 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
SCHEMBL15593998 0.89 ACACB (0.54) ACACBITGB3ITGA2BHDAC8S1PR1
SCHEMBL16816463 0.89 ACACB (0.54) ACACBITGB3ITGA2BHDAC8S1PR1
Hydrochloric Acid SCHEMBL16816189 0.88 ACACB (0.53) ACACBITGB3ITGA2BHDAC8S1PR1
Hydrochloric Acid SCHEMBL16816191 0.88 ACACB (0.53) ACACBITGB3ITGA2BHDAC8S1PR1
SCHEMBL10349208 0.86 S1PR1 (0.57) ACACBITGB3ITGA2BS1PR1S1PR3
Hydrochloric Acid SCHEMBL16816654 0.85 ITGB3 (0.53) ACACBITGB3ITGA2BHDAC8PPARG
Hydrochloric Acid SCHEMBL16816653 0.85 ITGB3 (0.53) ACACBITGB3ITGA2BHDAC8PPARG
Hydrochloric Acid SCHEMBL10349732 0.85 ACACB (0.53) ACACBITGB3ITGA2BHDAC8S1PR1
SCHEMBL631026 0.85 ACACB (0.61) ACACBITGB3ITGA2BGPR88
SCHEMBL21556940 0.85 ITGB3 (0.70) ACACBITGB3ITGA2BPPARGPPARD

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 ACACB 3477/4885ITGB3 3750/4885ITGA2B 3700/4885

“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.