SCHEMBL630333

SCHEMBL630333

O=C(NC(Cc1ccc(OCCCF)cc1)C(=O)OCc1ccccc1)C1CCCCN1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.49
ITGA5 P08648 2/20 0.49
ITGA4 P13612 2/20 0.45
ITGB7 P26010 1/20 0.45
FKBP1A P62942 5/20 0.45
KCNQ1 P51787 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
LMNA P02545 1/20 0.44
GPR34 Q9UPC5 2/20 0.43
ITGAV P06756 1/20 0.43
MMP1 P03956 1/20 0.43
ADAM17 P78536 1/20 0.43
YAP1 P46937 1/20 0.41
FKBP4 Q02790 1/20 0.41
FKBP5 Q13451 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL630332 1.00 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7FKBP1A
SCHEMBL5173099 1.00 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7FKBP1A
SCHEMBL631364 0.91 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB7FKBP1A
SCHEMBL629713 0.91 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB7FKBP1A
SCHEMBL629712 0.91 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB7FKBP1A
SCHEMBL631365 0.91 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB7FKBP1A
SCHEMBL630937 0.90 ITGB1 (0.50) ITGB1ITGA5ITGA4ITGB7FKBP1A
SCHEMBL630272 0.90 ITGB1 (0.50) ITGB1ITGA5ITGA4ITGB7FKBP1A
SCHEMBL630271 0.90 ITGB1 (0.50) ITGB1ITGA5ITGA4ITGB7FKBP1A
SCHEMBL630273 0.90 ITGB1 (0.50) ITGB1ITGA5ITGA4ITGB7FKBP1A

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 5 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 disclosed
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 ITGB1 3840/4885ITGA5 4336/4885ITGA4 4199/4885

“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.