SCHEMBL269388

SCHEMBL269388

O=C(NC(Cc1cc(F)c(F)cc1F)C(=O)C(=O)O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.48
CTSK P43235 3/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTRB1 P17538 2/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
CAPN1 P07384 1/20 0.45
DPP4 P27487 1/20 0.45

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
SCHEMBL269387 1.00 TACR1 (0.48) TACR1CTSKCTSLCTSBCTSS
SCHEMBL269901 0.90 ITGB3 (0.54) TACR1CTSKCTSLCTSBCTSS
SCHEMBL269902 0.90 ITGB3 (0.54) TACR1CTSKCTSLCTSBCTSS
SCHEMBL267824 0.88 TACR1 (0.46) TACR1CTSKCTSLCTSBCTSS
SCHEMBL267825 0.88 TACR1 (0.46) TACR1CTSKCTSLCTSBCTSS
SCHEMBL268062 0.88 ALDH1A1 (0.55) TACR1CTSKCTSLCTSBCTSS
SCHEMBL268063 0.88 ALDH1A1 (0.55) TACR1CTSKCTSLCTSBCTSS
SCHEMBL8699187 0.83 TACR1 (0.65) TACR1CTSKCTSLCTSBCTSS
SCHEMBL268807 0.82 CTSL (0.52) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL268808 0.82 CTSL (0.52) CTSKCTSLCTSBCTSSALDH1A1

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 6 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

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 TACR1 291/4885CTSK 2871/4885CTSL 2647/4885
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 TACR1 113/4885CTSK 2589/4885CTSL 1473/4885

“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.