SCHEMBL269138

SCHEMBL269138

Cc1cccc(C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc2ncccc2C(=O)NC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.43
ANO1 Q5XXA6 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
JAK2 O60674 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR4 O95977 1/20 0.37
F2 P00734 1/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36

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
SCHEMBL269139 1.00 KLK5 (0.43) KLK5ANO1NPSR1JAK2LMNA
SCHEMBL4113899 1.00 KLK5 (0.43) KLK5ANO1NPSR1JAK2LMNA
SCHEMBL270683 0.87 HTT (0.37) KLK5ANO1NPSR1JAK2LMNA
SCHEMBL268520 0.87 KLK5 (0.41) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL268221 0.86 KLK5 (0.42) KLK5NPSR1KMT2APSEN1PSEN2
SCHEMBL268222 0.86 KLK5 (0.42) KLK5NPSR1KMT2APSEN1PSEN2
SCHEMBL268240 0.85 SCN9A (0.36) KLK5ANO1CTSSCTSKMAPT
SCHEMBL268980 0.84 KLK5 (0.40) KLK5ALDH1A1KMT2APSEN1PSEN2
SCHEMBL268660 0.84 ANO1 (0.44) ANO1HPGDALDH1A1KMT2AHSD17B10
SCHEMBL277711 0.84 ACE (0.43) ANO1NPSR1JAK2LMNAHPGD

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 KLK5 3015/4885ANO1 3344/4885NPSR1 546/4885

“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.