SCHEMBL267895

SCHEMBL267895

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1cc(F)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 7/20 0.46
SGMS2 Q8NHU3 1/20 0.39
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPK8 P45983 1/20 0.35
CYP3A4 P08684 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
LMNA P02545 1/20 0.34
P2RX7 Q99572 1/20 0.34
EGFR P00533 1/20 0.34
USP2 O75604 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
Hydrochloric Acid SCHEMBL270538 0.99 ANO1 (0.45) ANO1SGMS2ALOX5APFEN1POLB
Hydrochloric Acid SCHEMBL270358 0.99 ANO1 (0.45) ANO1SGMS2ALOX5APFEN1POLB
SCHEMBL267905 0.93 ANO1 (0.42) ANO1ALOX5APFEN1POLBAPEX1
SCHEMBL269662 0.91 ANO1 (0.38) ANO1SGMS2SMN1; SMN2
SCHEMBL268030 0.91 SMN1; SMN2 (0.38) ANO1POLBAPEX1SMN1; SMN2P2RX7
SCHEMBL270520 0.91 ALOX5AP (0.40) ANO1ALOX5APFEN1SMN1; SMN2LMNA
SCHEMBL269206 0.91 SMN1; SMN2 (0.38) ANO1POLBAPEX1SMN1; SMN2P2RX7
Hydrochloric Acid SCHEMBL3989995 0.90 ALOX5AP (0.39) ANO1ALOX5APFEN1SMN1; SMN2LMNA
SCHEMBL268007 0.90 SGMS2 (0.40) ANO1SGMS2ALOX5APFEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL270331 0.90 ANO1 (0.37) ANO1SGMS2SMN1; 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 10 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
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 ANO1 3344/4885SGMS2 3397/4885ALOX5AP 3715/4885

“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.