SCHEMBL1979255

SCHEMBL1979255

CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
ATM Q13315 2/20 0.60
FFAR1 O14842 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
METAP2 P50579 1/20 0.55
WDR5 P61964 1/20 0.54
IDH1 O75874 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GHSR Q92847 1/20 0.53
PABPC1 P11940 1/20 0.53
MCL1 Q07820 1/20 0.52
ALDH1A1 P00352 2/20 0.51
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
HTR6 P50406 4/20 0.51
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
MAPT P10636 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 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
SCHEMBL12597829 0.89 SMN1; SMN2 (0.67) POLBATMFFAR1FFAR4IDH1
SCHEMBL12597585 0.87 MEN1 (0.60) POLBATMFFAR1FFAR4METAP2
SCHEMBL5391335 0.85 POLB (0.54) POLBATMFFAR1FFAR4WDR5
SCHEMBL5380688 0.84 POLB (0.64) POLBWDR5SMN1; SMN2
SCHEMBL16868709 0.84 ALDH1A1 (0.64) POLBFFAR1FFAR4METAP2GHSR
SCHEMBL12597595 0.82 SMN1; SMN2 (0.69) POLBATMFFAR1FFAR4SMN1; SMN2
SCHEMBL1979594 0.82 PABPC1 (0.62) POLBATMSMN1; SMN2PABPC1ALDH1A1
SCHEMBL12597647 0.81 PABPC1 (0.64) POLBATMFFAR1FFAR4IDH1
SCHEMBL19281340 0.81 ALDH1A1 (0.63) POLBATMFFAR1FFAR4METAP2
SCHEMBL12598081 0.81 POLB (0.73) POLBMETAP2SMN1; SMN2ALDH1A1

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 8 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-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
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 POLB 356/4885ATM 1793/4885FFAR1 4515/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 POLB 356/4885ATM 1793/4885FFAR1 4515/4885

“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.