SCHEMBL7468152

SCHEMBL7468152

O=C(O)C(Br)c1ccc(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
AKR1C3 P42330 5/20 0.44
AKR1C2 P52895 5/20 0.44
PTGS1 P23219 3/20 0.44
MEN1 O00255 2/20 0.44
PTGS2 P35354 2/20 0.44
KMT2A Q03164 2/20 0.44
FABP2 P12104 1/20 0.44
TSHR P16473 1/20 0.44
AKR1C4 P17516 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
AKR1C1 Q04828 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL26508769 0.85 IDO1 (0.40) CES2CES1AKR1C3AKR1C2PTGS1
SCHEMBL28382462 0.83 CES2 (0.38) CES2CES1AKR1C3AKR1C2PTGS1
SCHEMBL30544188 0.82 CES2 (0.47) CES2CES1AKR1C3AKR1C2PSEN1
SCHEMBL5079887 0.82 CES2 (0.47) CES2CES1AKR1C3AKR1C2PSEN1
SCHEMBL7673470 0.82 CES2 (0.47) CES2CES1AKR1C3AKR1C2MME
SCHEMBL29009883 0.80 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL7970825 0.79 CES2 (0.52) CES2CES1AKR1C3AKR1C2PTGS1
SCHEMBL15092196 0.79 CES2 (0.52) CES2CES1AKR1C3AKR1C2PTGS1
SCHEMBL30968933 0.78 CES2 (0.44) CES2CES1AKR1C3AKR1C2KMT2A
SCHEMBL1565587 0.78 CES2 (0.44) CES2CES1AKR1C3AKR1C2KMT2A

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
US-20160137633-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES AJINOMOTO CO., INC. (JP) 2016-05-19 US disclosed
US-9290487-B2 Pharmaceutical composition for treating diabetes AJINOMOTO CO., INC. (JP) 2016-03-22 US disclosed
US-20140336376-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES AJINOMOTO CO., INC. (JP) 2014-11-13 US disclosed
EP-2774917-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES Ajinomoto Co., Inc. (JP) 2014-09-10 EP disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 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-20140336376-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES PPARG, GPR119, GYS2 CES2 1253/4885CES1 346/4885AKR1C3 463/4885
US-20160137633-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES PPARG, GPR119, GYS2 CES2 1253/4885CES1 346/4885AKR1C3 463/4885

“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.