SCHEMBL268080

SCHEMBL268080

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)C(Cc1cc(F)c(F)cc1F)NC(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
KCNA5 P22460 2/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SPPL2A Q8TCT8 1/20 0.35
KLK5 Q9Y337 1/20 0.35
CTSB P07858 2/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
MME P08473 2/20 0.34
ECE1 P42892 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 1/20 0.34
CASP3 P42574 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
SCHEMBL268081 1.00 TRPM8 (0.38) TRPM8KCNA5ITGB3ITGA2BSMN1; SMN2
SCHEMBL269619 0.85 ITGB3 (0.39) KCNA5ITGB3ITGA2BCTSBCTSL
SCHEMBL270158 0.81 DPP4 (0.40) SMN1; SMN2
Hydrochloric Acid SCHEMBL270560 0.80 DPP4 (0.39) SMN1; SMN2
SCHEMBL4600174 0.80 KCNA5 (0.39) KCNA5ITGB3ITGA2BSMN1; SMN2L3MBTL1
SCHEMBL4600172 0.80 KCNA5 (0.39) KCNA5ITGB3ITGA2BSMN1; SMN2L3MBTL1
SCHEMBL268318 0.80 CTSS (0.44) SMN1; SMN2KLK5CTSS
SCHEMBL268317 0.80 CTSS (0.44) SMN1; SMN2KLK5CTSS
SCHEMBL268704 0.79 SCN9A (0.43) SMN1; SMN2KLK5CTSS
SCHEMBL268240 0.79 SCN9A (0.36) SMN1; SMN2KLK5CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP 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 (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-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 TRPM8 2161/4885KCNA5 2105/4885ITGB3 2695/4885

“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.