SCHEMBL14674432

SCHEMBL14674432

CCC(Nc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ccccc4OC)CC3)c2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
GFER P55789 1/20 0.54
HCRTR1 O43613 1/20 0.52
POLB P06746 1/20 0.50
PABPC1 P11940 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EED O75530 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL14809 0.88 ALDH1A1 (0.67) PKMALDH1A1MAPTHTTGFER
SCHEMBL12114 0.87 PABPC1 (0.66) PKMALDH1A1MAPTHTTGFER
SCHEMBL12112 0.87 PKM (0.76) PKMALDH1A1MAPTHTTGFER
SCHEMBL12597597 0.86 PKM (0.61) PKMALDH1A1MAPTHTTGFER
SCHEMBL12597657 0.86 PKM (0.63) PKMALDH1A1MAPTHTTGFER
SCHEMBL12597818 0.86 GFER (0.71) PKMALDH1A1MAPTHTTGFER
SCHEMBL1981302 0.86 MAPT (0.67) PKMALDH1A1MAPTHTTGFER
SCHEMBL11939 0.85 ALDH1A1 (0.62) PKMALDH1A1MAPTHTTGFER
SCHEMBL11877 0.85 PKM (0.62) PKMALDH1A1MAPTHTTGFER
SCHEMBL7602391 0.85 PKM (0.62) PKMALDH1A1MAPTHTTGFER

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2013-02-07 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 (2 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-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 PKM 2448/4885ALDH1A1 2219/4885MAPT 2835/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 PKM 2448/4885ALDH1A1 2219/4885MAPT 2835/4885

“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.