SCHEMBL630939

SCHEMBL630939

COc1ccc(CC(NC(=O)C2CCCCN2S(=O)(=O)c2cccc(F)c2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 8/20 0.57
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP13 P45452 1/20 0.47
FKBP1A P62942 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HCRTR1 O43613 4/20 0.46
HCRTR2 O43614 4/20 0.46
ITGB1 P05556 3/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
CACNA1B Q00975 1/20 0.46
FKBP4 Q02790 1/20 0.45
FKBP5 Q13451 1/20 0.45
ITGA5 P08648 2/20 0.45

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
SCHEMBL630938 1.00 KCNQ1 (0.57) KCNQ1MMP1MMP3MMP7MMP13
SCHEMBL5171410 1.00 KCNQ1 (0.57) KCNQ1MMP1MMP3MMP7MMP13
Fluorobenzene SCHEMBL5171073 0.96 KCNQ1 (0.53) KCNQ1MMP1MMP3MMP7MMP13
Fluorobenzene SCHEMBL5171070 0.96 KCNQ1 (0.53) KCNQ1MMP1MMP3MMP7MMP13
SCHEMBL3859030 0.90 ITGB1 (0.48) KCNQ1ITGB1ITGA4ITGB7CACNA1B
SCHEMBL5171521 0.90 KCNQ1 (0.60) KCNQ1MMP1MMP3MMP7MMP13
SCHEMBL630691 0.90 KCNQ1 (0.60) KCNQ1MMP1MMP3MMP7MMP13
SCHEMBL630690 0.90 KCNQ1 (0.60) KCNQ1MMP1MMP3MMP7MMP13
SCHEMBL5171150 0.89 KCNQ1 (0.55) KCNQ1MMP1MMP3MMP7MMP13
SCHEMBL3856572 0.89 ITGB1 (0.48) KCNQ1HCRTR1HCRTR2ITGB1ITGA4

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 KCNQ1 4358/4885MMP1 4649/4885MMP3 4360/4885

“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.