SCHEMBL1982259

SCHEMBL1982259

CCCCc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(C(=O)N3CCN(c4ccccc4OC)CC3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.56
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
PKM P14618 2/20 0.55
HTT P42858 2/20 0.55
PABPC1 P11940 1/20 0.52
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
HCRTR1 O43613 1/20 0.49
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC6A9 P48067 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1980863 0.93 ALDH1A1 (0.57) SLC6A5MAPTALDH1A1PKMHTT
SCHEMBL14802 0.89 PKM (0.60) MAPTALDH1A1PKMHTTPABPC1
SCHEMBL2000687 0.88 PKM (0.57) MAPTALDH1A1PKMHTTMAPK1
SCHEMBL1978698 0.88 PKM (0.57) MAPTALDH1A1PKMHTTKMT2A
SCHEMBL7603089 0.88 PKM (0.56) MAPTALDH1A1PKMHTTKMT2A
SCHEMBL12152 0.86 PKM (0.55) MAPTALDH1A1PKMHTTKMT2A
SCHEMBL7602357 0.86 PKM (0.57) MAPTALDH1A1PKMHTTPABPC1
SCHEMBL1980464 0.86 ALDH1A1 (0.55) MAPTALDH1A1PKMHTTPABPC1
SCHEMBL1979182 0.86 ALDH1A1 (0.54) MAPTALDH1A1PKMHTTPABPC1
SCHEMBL12597591 0.85 ALDH1A1 (0.51) MAPTALDH1A1PKMHTTKMT2A

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 SLC6A5 4815/4885MAPT 2835/4885ALDH1A1 2219/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 SLC6A5 4815/4885MAPT 2835/4885ALDH1A1 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.