SCHEMBL629759

SCHEMBL629759

COc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 6/20 0.56
HCRTR1 O43613 6/20 0.55
HCRTR2 O43614 6/20 0.55
POLB P06746 1/20 0.53
ITGB1 P05556 4/20 0.47
ITGA5 P08648 3/20 0.47
ITGA4 P13612 1/20 0.46
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL1383477 1.00 KCNQ1 (0.56) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL8269061 0.91 POLB (0.53) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL13206972 0.91 POLB (0.53) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL630004 0.91 POLB (0.53) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL630680 0.90 KCNQ1 (0.48) KCNQ1HCRTR1HCRTR2POLBKMT2A
SCHEMBL630210 0.89 KCNQ1 (0.54) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL8266440 0.86 HCRTR1 (0.43) KCNQ1HCRTR1HCRTR2LMNAGAA
SCHEMBL629838 0.86 KCNQ1 (0.62) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL629837 0.86 KCNQ1 (0.62) KCNQ1HCRTR1HCRTR2POLBITGB1
SCHEMBL5173103 0.86 KCNQ1 (0.62) KCNQ1HCRTR1HCRTR2POLBITGB1

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 6 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

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 4358/4885HCRTR1 1329/4885HCRTR2 1757/4885

“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.