SCHEMBL4620600

SCHEMBL4620600

Cc1ccc(C(N)=O)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
GPR52 Q9Y2T5 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
PARP1 P09874 1/20 0.40
DGAT1 O75907 1/20 0.38
P2RX1 P51575 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL16404629 0.85 CES2 (0.46) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL107636 0.85 CSNK2A1 (0.52) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL28471721 0.85 CES2 (0.48) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL7787350 0.83 CES2 (0.47) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL108796 0.81 SMN1; SMN2 (0.47) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL20184142 0.81 MAPT (0.47) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL26020411 0.80 CES2 (0.49) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL24177167 0.79 CES2 (0.47) CES2MAPTGPR52ALDH1A1PARP1
SCHEMBL29789763 0.79 CES2 (0.47) CES2PARP1DGAT1KMT2AMAPK10
SCHEMBL29789661 0.79 CES2 (0.47) CES2MAPTGPR52ALDH1A1PARP1

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-1888519-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-20 EP claimed
WO-2007054139-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO claimed
US-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-07-27 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
WO-2013144737-A2 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2013-10-03 WO disclosed
EP-1775289-B1 NOVEL IMIDAZOLIDINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-03-30 EP disclosed
US-7803826-B2 Imidazolidine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-28 US disclosed
US-7803826-B2 Imidazolidine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-28 US disclosed
US-20070249697-A1 Novel Imidazolidine Derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-25 US disclosed
US-20070249697-A1 Novel Imidazolidine Derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-25 US disclosed
EP-1775289-A1 NOVEL IMIDAZOLIDINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-04-18 EP 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 (3 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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CES2 4136/4885SMN1; SMN2 196/4885TP53 24/4885
US-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 CES2 1332/4885SMN1; SMN2 696/4885TP53 4535/4885
US-20070249697-A1 Novel Imidazolidine Derivatives CYP3A4, CYP4B1, OPRD1 CES2 405/4885SMN1; SMN2 3704/4885TP53 4070/4885

“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.