SCHEMBL1345954

SCHEMBL1345954

O=C(c1ccc(F)cc1Br)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.44
CES2 O00748 4/20 0.44
IDO1 P14902 2/20 0.42
PKM P14618 2/20 0.41
F2R P25116 1/20 0.40
MAP2K4 P45985 1/20 0.37
KEAP1 Q14145 1/20 0.36
DGAT1 O75907 1/20 0.35
MAPK1 P28482 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.35
PTGS2 P35354 1/20 0.35
PLOD2 O00469 1/20 0.34

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
SCHEMBL24359829 0.82 CES2 (0.39) CES1CES2PKMF2RKEAP1
SCHEMBL25757435 0.82 F2R (0.39) CES1CES2PKMF2RKEAP1
SCHEMBL1748151 0.80 CES1 (0.63) CES1CES2MAP2K4NPC1RAB9A
SCHEMBL25270267 0.79 CES2 (0.50) CES1CES2PKMF2RKEAP1
SCHEMBL20308955 0.79 HTT (0.39) CES1IDO1MAPK1NPC1MAPT
SCHEMBL31678938 0.79 FLT1 (0.46) IDO1MAPK1NPC1MAPTRAB9A
SCHEMBL612265 0.79 FLT1 (0.46) IDO1MAPK1NPC1MAPTRAB9A
SCHEMBL111637 0.78 KEAP1 (0.53) CES1CES2PKMF2RKEAP1
SCHEMBL1346328 0.77 CES2 (0.44) CES1CES2PKMF2RKEAP1
SCHEMBL29035119 0.77 CES2 (0.46) CES1CES2PKMF2RKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 US disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 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-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP CES1 3830/4885CES2 4032/4885IDO1 1060/4885

“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.