SCHEMBL2273143

SCHEMBL2273143

O=Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.51
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ERN1 O75460 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL5737107 0.86 KIF11 (0.47) KIF11ALOX5APFEN1CA1CA2
SCHEMBL153434 0.85 CYP1A1 (0.44) KIF11ALOX5APFEN1CYP1A1CYP1B1
SCHEMBL13974267 0.83 KIF11 (0.43) KIF11ERN1
Ammonia Solution, Strong SCHEMBL28850606 0.83 CYP1A1 (0.43) KIF11ALOX5APFEN1CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL27743327 0.83 IDO1 (0.43) ALOX5APFEN1CYP1A1CYP1B1
SCHEMBL18002038 0.81 KIF11 (0.48) KIF11ALOX5APFEN1CYP1A1CYP1B1
SCHEMBL2774294 0.81 KIF11 (0.44) KIF11ERN1
SCHEMBL2269481 0.81 KIF11 (0.50) KIF11CYP1A1CYP1B1CA1CA2
SCHEMBL29828302 0.81 ERN1 (0.46) KIF11ERN1
SCHEMBL3480550 0.80 FEN1 (0.52) KIF11ALOX5APFEN1MAOB

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
EP-3214939-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-19 EP disclosed
EP-1758859-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2013-07-17 EP disclosed
US-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 US disclosed
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 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-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR KIF11 3904/4885ALOX5AP 2405/4885FEN1 4783/4885

“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.