SCHEMBL12598024

SCHEMBL12598024

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.61
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
POLB P06746 2/20 0.55
HTT P42858 4/20 0.53
MAPT P10636 3/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 2/20 0.53
GFER P55789 1/20 0.52
ALDH1A1 P00352 7/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL12598486 0.91 PABPC1 (0.61) PABPC1FFAR1FFAR4POLBHTT
SCHEMBL1979259 0.91 PABPC1 (0.62) PABPC1POLBHTTMAPTALOX15
SCHEMBL12241 0.90 PABPC1 (0.61) PABPC1FFAR1FFAR4POLBHTT
SCHEMBL12597608 0.88 PABPC1 (0.57) PABPC1POLBHTTMAPTALOX15
SCHEMBL14675157 0.88 GFER (0.53) PABPC1FFAR1FFAR4POLBHTT
SCHEMBL12597568 0.88 GFER (0.53) PABPC1FFAR1FFAR4POLBHTT
SCHEMBL1978624 0.87 PABPC1 (0.54) PABPC1POLBHTTMAPTALOX15
SCHEMBL1980125 0.87 GFER (0.55) PABPC1POLBHTTMAPTALOX15
SCHEMBL7603088 0.86 PABPC1 (0.56) PABPC1FFAR1FFAR4POLBHTT
SCHEMBL12597569 0.86 PABPC1 (0.56) PABPC1POLBHTTMAPTGFER

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 PABPC1 1099/4885FFAR1 4515/4885FFAR4 4519/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 PABPC1 1099/4885FFAR1 4515/4885FFAR4 4519/4885

“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.