SCHEMBL268754

SCHEMBL268754

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDPK1 O15530 6/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
ANO1 Q5XXA6 3/20 0.36
PPARG P37231 1/20 0.35
KMT2A Q03164 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
CAPN1 P07384 1/20 0.34
DPP4 P27487 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
SCHEMBL269653 0.89 ANO1 (0.40) ALOX5APFEN1SMN1; SMN2ANO1KMT2A
SCHEMBL270827 0.88 ANO1 (0.45) ALOX5APFEN1SMN1; SMN2ANO1KMT2A
SCHEMBL3986990 0.88 ANO1 (0.45) ALOX5APFEN1SMN1; SMN2ANO1KMT2A
SCHEMBL270168 0.88 SMN1; SMN2 (0.39) ALOX5APFEN1SMN1; SMN2ANO1CAPN1
SCHEMBL270158 0.87 DPP4 (0.40) ALOX5APFEN1SMN1; SMN2POLBAPEX1
SCHEMBL269828 0.87 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ACAPN1
SCHEMBL269454 0.86 ANO1 (0.45) SMN1; SMN2POLBANO1DPP4
Hydrochloric Acid SCHEMBL270560 0.86 DPP4 (0.39) ALOX5APFEN1SMN1; SMN2POLBAPEX1
Hydrochloric Acid SCHEMBL268993 0.86 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ACAPN1
SCHEMBL267788 0.85 ALOX5AP (0.38) ALOX5APFEN1SMN1; SMN2POLBAPEX1

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 11 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
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
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
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
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US 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
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 (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 ALOX5AP 3715/4885FEN1 3118/4885SMN1; SMN2 4330/4885

“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.