SCHEMBL268387

SCHEMBL268387

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ANO1 Q5XXA6 3/20 0.35
HTT P42858 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
P2RX7 Q99572 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL270014 0.89 ANO1 (0.42) SMN1; SMN2ALOX5APFEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL269714 0.88 ANO1 (0.42) SMN1; SMN2ALOX5APFEN1MAPTKMT2A
SCHEMBL270158 0.86 DPP4 (0.40) SMN1; SMN2ALOX5APFEN1ANO1POLB
SCHEMBL269653 0.85 ANO1 (0.40) SMN1; SMN2ALOX5APFEN1KMT2AANO1
SCHEMBL270827 0.85 ANO1 (0.45) SMN1; SMN2ALOX5APFEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL270560 0.85 DPP4 (0.39) SMN1; SMN2ALOX5APFEN1ANO1POLB
SCHEMBL3986990 0.85 ANO1 (0.45) SMN1; SMN2ALOX5APFEN1MAPTKMT2A
SCHEMBL268754 0.85 ALOX5AP (0.39) SMN1; SMN2ALOX5APFEN1KMT2AANO1
SCHEMBL270168 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ALOX5APFEN1ANO1P2RX7
SCHEMBL267788 0.84 ALOX5AP (0.38) SMN1; SMN2ALOX5APFEN1MAPTANO1

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 5 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
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 SMN1; SMN2 4330/4885ALOX5AP 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.