Sugi Predict

Sugi Predict / Compounds / SCHEMBL270127

SCHEMBL270127

SCHEMBL270127

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ DPP4 P27487 2/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ ANO1 Q5XXA6 1/20 0.35
▸ VNN1 O95497 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ SGMS2 Q8NHU3 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 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 0.91 ANO1 (0.42) LMNANPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL269714 0.90 ANO1 (0.42) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL269747 0.88 CNR1 (0.41) LMNANPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL269660 0.87 CNR1 (0.40) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL268891 0.86 ANO1 (0.38) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL268989 0.86 LMNA (0.45) LMNANPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL270684 0.85 LMNA (0.44) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL270771 0.85 ALOX5AP (0.42) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL268886 0.84 NPC1 (0.42) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL268272 0.84 LMNA (0.48) LMNANPC1RAB9AMEN1KMT2A

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 LMNA 4670/4885NPC1 426/4885RAB9A 3829/4885

“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.