SCHEMBL1978624

SCHEMBL1978624

CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ccc(OCCc5ccccc5)cc4)CC3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.54
GFER P55789 1/20 0.51
ALOX15 P16050 4/20 0.49
LMNA P02545 4/20 0.49
USP2 O75604 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 5/20 0.48
HTT P42858 4/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.45
PKM P14618 3/20 0.45
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MGAT2 Q10469 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
SCHEMBL12597608 0.94 PABPC1 (0.57) PABPC1GFERALOX15LMNAUSP2
SCHEMBL1979259 0.91 PABPC1 (0.62) PABPC1GFERALOX15LMNAUSP2
SCHEMBL12597640 0.88 HCRTR1 (0.55) PABPC1GFERUSP2POLBGAA
SCHEMBL12598024 0.87 PABPC1 (0.61) PABPC1GFERALOX15LMNAUSP2
SCHEMBL12598486 0.86 PABPC1 (0.61) PABPC1GFERLMNAPOLBHTT
SCHEMBL12241 0.84 PABPC1 (0.61) PABPC1GFERLMNAPOLBHTT
SCHEMBL1979594 0.84 PABPC1 (0.62) PABPC1LMNAPOLBGAAMAPK1
SCHEMBL1980497 0.83 HCRTR1 (0.55) PABPC1GFERUSP2POLBHTT
SCHEMBL1980815 0.83 PABPC1 (0.57) PABPC1GFERLMNAPOLBGAA
SCHEMBL1978682 0.83 PABPC1 (0.59) PABPC1GFERPOLBGAAHTT

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 5 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
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
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

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 1099/4885GFER 4878/4885ALOX15 1580/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 PABPC1 1099/4885GFER 4878/4885ALOX15 1580/4885

“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.