Sugi Predict

Sugi Predict / Compounds / SCHEMBL269134

SCHEMBL269134

SCHEMBL269134

CC(C)(C)NC(=O)c1ccc(C(F)(F)F)nc1C[C@H](O)[C@H](N)Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.37
▸ PDE4B Q07343 2/20 0.36
▸ PDE11A Q9HCR9 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ ACKR3 P25106 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ VNN1 O95497 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ DPP4 P27487 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
SCHEMBL269639 0.89 DPP4 (0.38) TRPV1ALOX5APFEN1ACKR3DPP4
SCHEMBL267506 0.89 DPP4 (0.38) TRPV1ALOX5APFEN1ACKR3DPP4
SCHEMBL270299 0.89 DPP4 (0.39) LMNANPC1RAB9AALOX5APFEN1
Hydrochloric Acid SCHEMBL268733 0.88 DPP4 (0.37) TRPV1ALOX5APFEN1DPP4DPP8
SCHEMBL269161 0.88 ANO1 (0.40) ANO1PDE4BPDE11AALOX5APFEN1
Hydrochloric Acid SCHEMBL270205 0.87 ANO1 (0.40) ANO1PDE4BPDE11AALOX5APFEN1
SCHEMBL269056 0.86 DPP4 (0.35) TRPV1ALOX5APFEN1DPP4DPP8
Fumaric Acid SCHEMBL267835 0.84 DPP4 (0.35) NPC1RAB9APDE4BPDE11ATRPV1
Fumaric Acid SCHEMBL267834 0.84 DPP4 (0.35) NPC1RAB9APDE4BPDE11ATRPV1
SCHEMBL270014 0.83 ANO1 (0.42) LMNANPC1RAB9AANO1CCR1

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.