SCHEMBL269498

SCHEMBL269498

Cc1cc(F)c(F)cc1C[C@@H](N)[C@@H](O)Cc1ncccc1C(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
ANO1 Q5XXA6 5/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
P2RX7 Q99572 1/20 0.34
EIF2S1 P05198 1/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
AHR P35869 1/20 0.33
RAB9A P51151 1/20 0.33
SYK P43405 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL270158 0.92 DPP4 (0.40) ALOX5APFEN1SMN1; SMN2POLBAPEX1
Hydrochloric Acid SCHEMBL270560 0.91 DPP4 (0.39) ALOX5APFEN1SMN1; SMN2POLBAPEX1
SCHEMBL268078 0.90 ANO1 (0.38) ALOX5APFEN1SMN1; SMN2ANO1ADORA2A
SCHEMBL268007 0.90 SGMS2 (0.40) ALOX5APFEN1SMN1; SMN2ANO1EIF2S1
SCHEMBL268950 0.90 POLB (0.45) ALOX5APFEN1SMN1; SMN2POLBAPEX1
SCHEMBL267788 0.89 ALOX5AP (0.38) ALOX5APFEN1SMN1; SMN2POLBAPEX1
SCHEMBL268964 0.88 KDM4E (0.41) ALOX5APFEN1SMN1; SMN2ANO1ADORA2A
Hydrochloric Acid SCHEMBL268627 0.88 ALOX5AP (0.38) ALOX5APFEN1SMN1; SMN2POLBAPEX1
Hydrochloric Acid SCHEMBL269306 0.88 ALOX5AP (0.38) ALOX5APFEN1SMN1; SMN2POLBAPEX1
Hydrochloric Acid SCHEMBL268996 0.87 KDM4E (0.41) ALOX5APFEN1SMN1; SMN2ANO1ADORA2A

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 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.