SCHEMBL269043

SCHEMBL269043

CC(C)(C)NC(=O)c1cccnc1CC(O)C(Cc1ccc(Cl)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.37
ANO1 Q5XXA6 4/20 0.37
KLK5 Q9Y337 1/20 0.35
SCN9A Q15858 4/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
CYP3A4 P08684 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
P2RX7 Q99572 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 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
SCHEMBL269081 0.94 ANO1 (0.41) S1PR3ANO1KLK5SCN9ASCN10A
SCHEMBL268823 0.90 KLK5 (0.36) S1PR3ANO1KLK5SCN9ASCN10A
SCHEMBL268317 0.89 CTSS (0.44) ANO1KLK5SCN9ASCN10ASMN1; SMN2
SCHEMBL268318 0.89 CTSS (0.44) ANO1KLK5SCN9ASCN10ASMN1; SMN2
SCHEMBL268704 0.88 SCN9A (0.43) ANO1KLK5SCN9ASCN10ASMN1; SMN2
SCHEMBL268240 0.88 SCN9A (0.36) ANO1KLK5SCN9ASCN10ASMN1; SMN2
SCHEMBL268772 0.87 SCN9A (0.44) ANO1KLK5SCN9ASCN10ASMN1; SMN2
SCHEMBL268222 0.86 KLK5 (0.42) KLK5SCN9ASMN1; SMN2GAAMAPT
SCHEMBL268221 0.86 KLK5 (0.42) KLK5SCN9ASMN1; SMN2GAAMAPT
SCHEMBL268189 0.86 ALOX5AP (0.37) ANO1KLK5SCN9ASCN10ASMN1; SMN2

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 S1PR3 740/4885ANO1 3344/4885KLK5 3015/4885

“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.