SCHEMBL629802

SCHEMBL629802

COC[C@H](C)NC(=O)[C@H](Cc1ccc(OCCCF)cc1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 5/20 0.48
ITGB1 P05556 6/20 0.45
ITGA5 P08648 3/20 0.45
ITGA4 P13612 2/20 0.43
ITGB7 P26010 1/20 0.43
FKBP1A P62942 3/20 0.42
FKBP4 Q02790 1/20 0.42
FKBP5 Q13451 1/20 0.42
LMNA P02545 2/20 0.42
ITGAV P06756 1/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP1 P03956 1/20 0.40
ADAM17 P78536 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8268315 1.00 KCNQ1 (0.48) KCNQ1ITGB1ITGA5ITGA4ITGB7
SCHEMBL13206995 1.00 KCNQ1 (0.48) KCNQ1ITGB1ITGA5ITGA4ITGB7
SCHEMBL1384029 1.00 KCNQ1 (0.48) KCNQ1ITGB1ITGA5ITGA4ITGB7
SCHEMBL1384421 0.95 KCNQ1 (0.48) KCNQ1ITGB1ITGA5ITGA4ITGB7
SCHEMBL629871 0.95 KCNQ1 (0.48) KCNQ1ITGB1ITGA5ITGA4ITGB7
SCHEMBL631365 0.89 ITGB1 (0.57) KCNQ1ITGB1ITGA5ITGA4ITGB7
SCHEMBL629712 0.89 ITGB1 (0.57) KCNQ1ITGB1ITGA5ITGA4ITGB7
SCHEMBL629713 0.89 ITGB1 (0.57) KCNQ1ITGB1ITGA5ITGA4ITGB7
SCHEMBL631364 0.89 ITGB1 (0.57) KCNQ1ITGB1ITGA5ITGA4ITGB7
SCHEMBL1381826 0.88 KCNQ1 (0.49) KCNQ1ITGB1ITGA5ITGA4ITGB7

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
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-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
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US 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 KCNQ1 4358/4885ITGB1 3840/4885ITGA5 4336/4885

“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.