SCHEMBL1980232

SCHEMBL1980232

CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ccccc4OC(C)C)CC3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.53
PKM P14618 2/20 0.49
HTT P42858 2/20 0.49
HCRTR1 O43613 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
GFER P55789 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 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
SCHEMBL14802 0.91 PKM (0.60) PABPC1PKMHTTHCRTR1ALDH1A1
SCHEMBL12597581 0.91 HCRTR1 (0.52) PABPC1PKMHTTHCRTR1ALDH1A1
SCHEMBL1979722 0.91 HCRTR1 (0.61) PABPC1PKMHTTHCRTR1ALDH1A1
SCHEMBL2008484 0.90 HCRTR1 (0.54) PABPC1PKMHTTHCRTR1ALDH1A1
SCHEMBL1980435 0.89 PABPC1 (0.53) PABPC1PKMHTTHCRTR1ALDH1A1
SCHEMBL1978682 0.89 PABPC1 (0.59) PABPC1PKMHTTHCRTR1ALDH1A1
SCHEMBL12597640 0.89 HCRTR1 (0.55) PABPC1PKMHTTHCRTR1ALDH1A1
SCHEMBL7602357 0.89 PKM (0.57) PABPC1PKMHTTHCRTR1ALDH1A1
SCHEMBL1980497 0.89 HCRTR1 (0.55) PABPC1PKMHTTHCRTR1ALDH1A1
SCHEMBL12598021 0.88 PABPC1 (0.55) PABPC1PKMHTTHCRTR1ALDH1A1

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 11 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
EP-2509600-A1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION Agios Pharmaceuticals, Inc. (US) 2012-10-17 EP 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
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 PABPC1 1099/4885PKM 2448/4885HTT 2447/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 PABPC1 1099/4885PKM 2448/4885HTT 2447/4885

“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.