SCHEMBL1772371

SCHEMBL1772371

Cc1ccc(F)cc1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.49
BCL2L1 Q07817 1/20 0.46
CYP1A1 P04798 3/20 0.46
CYP1B1 Q16678 3/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CYP2C8 P10632 1/20 0.46
KIT P10721 1/20 0.44
MTOR P42345 2/20 0.44
ESR1 P03372 2/20 0.42
VNN1 O95497 1/20 0.42
TTR P02766 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1774590 0.88 GAA (0.52) SRD5A2NPC1RAB9A
SCHEMBL1773728 0.84 CES2 (0.53) SRD5A2CES2KITRAB9A
SCHEMBL1773658 0.81 MAPT (0.47) SRD5A2CES2CES1RAB9A
SCHEMBL11101475 0.80 PTGS2 (0.51) CES2CES1CYP2C8NPC1RAB9A
SCHEMBL25850063 0.79 TAS2R14 (0.52) SRD5A2CES2NPC1RAB9A
SCHEMBL14415777 0.79 CES2 (0.50) CES2CES1NPC1RAB9A
SCHEMBL9776286 0.79 SRD5A2 (0.53) SRD5A2BCL2L1CES2CES1CYP2C8
SCHEMBL1773115 0.78 KMT2A (0.50) NPC1RAB9A
SCHEMBL1773507 0.78 CDC25B (0.51) BCL2L1NPC1RAB9A
SCHEMBL1773321 0.78 GSK3B (0.47) SRD5A2CYP1A1CYP1B1CES2CES1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
EP-2242747-A1 SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF Sanofi-Aventis (FR) 2010-10-27 EP disclosed
WO-2009097997-A1 SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 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 (1 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-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof GIPR, PGC, DDC SRD5A2 166/4885BCL2L1 3943/4885CYP1A1 153/4885

“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.