SCHEMBL630382

SCHEMBL630382

COC[C@H](C)NC(=O)[C@@H](N)Cc1ccc(OCCCF)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.50
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
CYP3A4 P08684 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
SCHEMBL631026 0.91 ACACB (0.61) ACACBITGB3ITGA2B
Hydrochloric Acid SCHEMBL16816653 0.82 ITGB3 (0.53) ACACBITGB3ITGA2BCYP3A4
Hydrochloric Acid SCHEMBL16816654 0.82 ITGB3 (0.53) ACACBITGB3ITGA2BCYP3A4
SCHEMBL5173811 0.80 GPR88 (0.42) ACACBCYP3A4
Hydrochloric Acid SCHEMBL16816678 0.76 ITGB3 (0.58) ACACBITGB3ITGA2B
Hydrochloric Acid SCHEMBL16816680 0.76 ITGB3 (0.58) ACACBITGB3ITGA2B
Hydrochloric Acid SCHEMBL16816397 0.76 ITGB3 (0.74) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL16816399 0.76 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL629876 0.75 ACACB (0.56) ACACBITGB3ITGA2B
SCHEMBL13012122 0.75 ITGB3 (0.53) ITGB3ITGA2B

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.