SCHEMBL12597657

SCHEMBL12597657

COc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(CCc4ccccc4)cc3)ccc2C)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.63
HTT P42858 3/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPT P10636 2/20 0.63
GFER P55789 1/20 0.57
PABPC1 P11940 1/20 0.55
POLB P06746 1/20 0.54
HCRTR1 O43613 1/20 0.54
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
EED O75530 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL7602391 0.94 PKM (0.62) PKMHTTALDH1A1MAPTGFER
SCHEMBL14802 0.93 PKM (0.60) PKMHTTALDH1A1MAPTGFER
SCHEMBL12114 0.92 PABPC1 (0.66) PKMHTTALDH1A1MAPTGFER
SCHEMBL14809 0.92 ALDH1A1 (0.67) PKMHTTALDH1A1MAPTGFER
SCHEMBL12167 0.92 PKM (0.59) PKMHTTALDH1A1MAPTGFER
SCHEMBL12225 0.91 ALDH1A1 (0.58) PKMHTTALDH1A1MAPTGFER
SCHEMBL12112 0.90 PKM (0.76) PKMHTTALDH1A1MAPTGFER
SCHEMBL7605178 0.90 PKM (0.61) PKMHTTALDH1A1MAPTGFER
SCHEMBL7602357 0.90 PKM (0.57) PKMHTTALDH1A1MAPTGFER
SCHEMBL12597818 0.90 GFER (0.71) PKMHTTALDH1A1MAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509600-B1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
EP-2509600-B1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
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
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2013-02-07 US disclosed
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2013-02-07 US disclosed
WO-2011072174-A1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS, INC. (US) 2011-06-16 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 (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 2448/4885HTT 2447/4885ALDH1A1 2219/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 PKM 2448/4885HTT 2447/4885ALDH1A1 2219/4885

“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.