SCHEMBL270683

SCHEMBL270683

Cc1ccc(C)c(CC(NC(=O)OC(C)(C)C)C(O)Cc2ncccc2C(=O)NC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
HSP90AA1 P07900 2/20 0.37
XBP1 P17861 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KLK5 Q9Y337 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
ANO1 Q5XXA6 2/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
TACR1 P25103 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL268240 0.92 SCN9A (0.36) KLK5SMN1; SMN2MAPTANO1AAK1
SCHEMBL269379 0.90 KLK5 (0.38) HTTLMNAHSP90AA1XBP1NPSR1
SCHEMBL269380 0.90 KLK5 (0.38) HTTLMNAHSP90AA1XBP1NPSR1
SCHEMBL269138 0.87 KLK5 (0.43) HTTLMNAXBP1NPSR1TP53
SCHEMBL269139 0.87 KLK5 (0.43) HTTLMNAXBP1NPSR1TP53
SCHEMBL4113899 0.87 KLK5 (0.43) HTTLMNAXBP1NPSR1TP53
SCHEMBL268964 0.85 KDM4E (0.41) HTTLMNANPSR1GAAKDM4E
Hydrochloric Acid SCHEMBL268996 0.85 KDM4E (0.41) HTTLMNANPSR1GAAKDM4E
SCHEMBL277671 0.84 SMN1; SMN2 (0.40) HTTLMNAHSP90AA1XBP1NPSR1
SCHEMBL268318 0.84 CTSS (0.44) LMNAKLK5SMN1; SMN2ANO1

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 HTT 4497/4885LMNA 4670/4885HSP90AA1 4592/4885

“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.