SCHEMBL630109

SCHEMBL630109

COc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCOCC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KCNQ1 P51787 1/20 0.48
POLB P06746 2/20 0.47
FKBP1A P62942 5/20 0.46
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
BDKRB1 P46663 6/20 0.44
FKBP4 Q02790 1/20 0.42
FKBP5 Q13451 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSD P07339 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
SCHEMBL630034 0.92 KCNQ1 (0.56) KMT2AKCNQ1POLBHCRTR1HCRTR2
SCHEMBL1380661 0.92 KCNQ1 (0.56) KMT2AKCNQ1POLBHCRTR1HCRTR2
SCHEMBL631193 0.90 MEN1 (0.47) MEN1KMT2AKCNQ1POLBFKBP1A
SCHEMBL629996 0.88 KCNQ1 (0.48) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL1383354 0.88 KCNQ1 (0.48) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL8268291 0.85 KCNQ1 (0.52) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL1382694 0.85 KCNQ1 (0.52) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL630185 0.85 KCNQ1 (0.52) KCNQ1POLBHCRTR1HCRTR2BDKRB1
SCHEMBL630124 0.84 POLB (0.51) MEN1KMT2AKCNQ1POLBHCRTR1
SCHEMBL1382042 0.83 KCNQ1 (0.54) KMT2AKCNQ1FKBP1AHCRTR1HCRTR2

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
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 MEN1 4809/4885KMT2A 4807/4885KCNQ1 4358/4885

“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.