SCHEMBL268542

SCHEMBL268542

COC(=O)C(Cc1cc(F)ccc1F)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
KYNU Q16719 1/20 0.52
KMT2A Q03164 1/20 0.50
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL268541 1.00 ALDH1A1 (0.53) ALDH1A1ALOX15KYNUKMT2ANOS3
SCHEMBL269879 0.91 ITGB3 (0.52) CTSLCTSBCTSSCTSK
SCHEMBL269878 0.91 ITGB3 (0.52) CTSLCTSBCTSSCTSK
SCHEMBL31732842 0.91 ITGB3 (0.52) CTSLCTSBCTSSCTSK
SCHEMBL267824 0.89 TACR1 (0.46) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL267825 0.89 TACR1 (0.46) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL268062 0.88 ALDH1A1 (0.55) ALDH1A1ALOX15KYNUKMT2ACTSL
SCHEMBL268063 0.88 ALDH1A1 (0.55) ALDH1A1ALOX15KYNUKMT2ACTSL
SCHEMBL5561541 0.88 ALDH1A1 (0.60) ALDH1A1ALOX15KYNUKMT2ACTSL
SCHEMBL5561531 0.88 ALDH1A1 (0.60) ALDH1A1ALOX15KYNUKMT2ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910274-B1 PHENYL COMPOUNDS LILLY CO ELI (US) 2012-08-08 EP disclosed
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
US-8076514-B2 Dipeptidyl peptidase IV inhibitors; Type II diabetes; 2-[(2S,3R)-3-Amino-2-hydroxy-4-(2,4,5-trifluoro-phenyl)-butyl]-N-tert-butyl-4-chloro-benzamide Hydrochloride ELI LILLY AND COMPANY (US) 2011-12-13 US disclosed
EP-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-20080221217-A1 Phenyl Compounds and Their Use in the Treatment of Type II Diabetes ELI LILLY AND COMPANY 2008-09-11 US disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
EP-1910274-A1 PHENYL COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015807-A1 PHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080221217-A1 Phenyl Compounds and Their Use in the Treatment of Type II Diabetes DPP4, GPR119, SLC5A2 ALDH1A1 797/4885ALOX15 1165/4885KYNU 1734/4885
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 ALDH1A1 557/4885ALOX15 2523/4885KYNU 2032/4885

“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.