SCHEMBL630207

SCHEMBL630207

COc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)C(=O)NC2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 7/20 0.54
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP13 P45452 1/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ITGB1 P05556 2/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
FKBP1A P62942 2/20 0.43
FKBP4 Q02790 1/20 0.43
FKBP5 Q13451 1/20 0.43
ITGA5 P08648 1/20 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
SCHEMBL1382042 1.00 KCNQ1 (0.54) KCNQ1KMT2AGAAMMP1MMP3
SCHEMBL629881 0.92 KCNQ1 (0.46) KCNQ1KMT2AGAAMMP1TSHR
SCHEMBL1381634 0.92 KCNQ1 (0.46) KCNQ1KMT2AGAAMMP1TSHR
SCHEMBL630034 0.91 KCNQ1 (0.56) KCNQ1KMT2AGAAMMP1MMP3
SCHEMBL1380661 0.91 KCNQ1 (0.56) KCNQ1KMT2AGAAMMP1MMP3
SCHEMBL630706 0.89 KCNQ1 (0.46) KCNQ1KMT2AGAATSHRFKBP1A
SCHEMBL630691 0.87 KCNQ1 (0.60) KCNQ1KMT2AMMP1MMP3MMP7
SCHEMBL5171521 0.87 KCNQ1 (0.60) KCNQ1KMT2AMMP1MMP3MMP7
SCHEMBL630690 0.87 KCNQ1 (0.60) KCNQ1KMT2AMMP1MMP3MMP7
SCHEMBL13207057 0.85 KMT2A (0.49) KMT2AGAAMMP1MMP3MMP7

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
JP-4812758-B2 2011-11-09 JP 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

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 4358/4885KMT2A 4807/4885GAA 2479/4885

“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.