SCHEMBL268518

SCHEMBL268518

CCOC(=O)C(Cc1cc(C)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.49
CTSK P43235 4/20 0.49
SCN9A Q15858 3/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TACR1 P25103 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PTPN1 P18031 1/20 0.43
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ACE P12821 1/20 0.39

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
SCHEMBL268699 0.88 PTPN1 (0.54) CTSSCTSKSCN9AMAPTALDH1A1
SCHEMBL17118196 0.88 SCN9A (0.51) CTSSCTSKSCN9AMAPTALDH1A1
SCHEMBL17118205 0.83 MTNR1A (0.51) CTSSCTSKSCN9AMAPTALDH1A1
SCHEMBL20235970 0.82 CTSS (0.50) CTSSCTSKSCN9AMAPTTACR1
SCHEMBL20235969 0.82 CTSS (0.50) CTSSCTSKSCN9AMAPTTACR1
SCHEMBL269284 0.82 JAK3 (0.47) CTSSCTSKSCN9AMAPTTACR1
SCHEMBL269285 0.82 CTSS (0.56) CTSSCTSKSCN9AMAPTSMN1; SMN2
SCHEMBL27124976 0.82 ALDH1A1 (0.54) CTSSCTSKSCN9AMAPTALDH1A1
SCHEMBL10189165 0.81 CTSS (0.51) CTSSCTSKSCN9ATACR1PTPN1
SCHEMBL269302 0.81 CTSS (0.51) CTSSCTSKSCN9ATACR1PTPN1

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
US-20170137341-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-18 US 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
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
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP 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-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 CTSS 1680/4885CTSK 2589/4885SCN9A 1412/4885
US-20170137341-A1 FLUORINATION METHOD F13B, PPARG, PGC CTSS 3014/4885CTSK 3067/4885SCN9A 3786/4885

“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.