SCHEMBL268667

SCHEMBL268667

C[C@H](NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1ccccc1F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.47
LMNA P02545 4/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL269582 0.90 LMNA (0.43) MAPK8LMNAKMT2AMEN1HTT
SCHEMBL270771 0.86 ALOX5AP (0.42) LMNAKMT2AMEN1NPC1POLB
SCHEMBL268989 0.86 LMNA (0.45) MAPK8LMNAALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL270684 0.85 LMNA (0.44) MAPK8LMNAALDH1A1KDM4EHSD17B10
SCHEMBL267783 0.84 PRKCI (0.47) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL268272 0.84 LMNA (0.48) MAPK8LMNAALDH1A1HPGDKMT2A
SCHEMBL270014 0.83 ANO1 (0.42) MAPK8LMNAKMT2AMEN1HTT
Hydrochloric Acid SCHEMBL268197 0.83 PRKCI (0.46) LMNAALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL270565 0.83 LMNA (0.47) MAPK8LMNAALDH1A1HPGDKMT2A
SCHEMBL268363 0.82 LMNA (0.47) MAPK8LMNAALDH1A1KDM4EHPGD

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 MAPK8 2799/4885LMNA 4670/4885ALDH1A1 557/4885

“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.