SCHEMBL269863

SCHEMBL269863

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1cc(Cl)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 13/20 0.45
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 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 SCHEMBL267380 0.99 ANO1 (0.44) ANO1ALOX5APFEN1POLBAPEX1
Hydrochloric Acid SCHEMBL3987420 0.99 ANO1 (0.44) ANO1ALOX5APFEN1POLBAPEX1
SCHEMBL268789 0.94 ANO1 (0.40) ANO1ALOX5APFEN1POLBAPEX1
Hydrochloric Acid SCHEMBL269131 0.93 ANO1 (0.40) ANO1ALOX5APFEN1POLBAPEX1
SCHEMBL267788 0.91 ALOX5AP (0.38) ANO1ALOX5APFEN1POLBAPEX1
SCHEMBL270520 0.91 ALOX5AP (0.40) ANO1ALOX5APFEN1SMN1; SMN2
SCHEMBL269662 0.91 ANO1 (0.38) ANO1SMN1; SMN2ALDH1A1HPGDRAB9A
Hydrochloric Acid SCHEMBL270331 0.91 ANO1 (0.37) ANO1SMN1; SMN2ALDH1A1HPGDRAB9A
Hydrochloric Acid SCHEMBL269306 0.91 ALOX5AP (0.38) ANO1ALOX5APFEN1POLBAPEX1
Hydrochloric Acid SCHEMBL269767 0.91 ALOX5AP (0.39) ANO1ALOX5APFEN1SMN1; 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
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

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 3344/4885ALOX5AP 3715/4885FEN1 3118/4885

“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.