Sugi Predict

Sugi Predict / Compounds / SCHEMBL269117

SCHEMBL269117

SCHEMBL269117

CCc1ccccc1C[C@@H](N)[C@@H](O)Cc1ncccc1C(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ SGMS2 Q8NHU3 1/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ANO1 Q5XXA6 3/20 0.34
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL270276 0.91 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AMAPTALOX5AP
SCHEMBL270014 0.90 ANO1 (0.42) SMN1; SMN2MEN1KMT2AMAPTALOX5AP
SCHEMBL267669 0.90 ANO1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1ANO1
Hydrochloric Acid SCHEMBL268093 0.90 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AMAPTALOX5AP
Hydrochloric Acid SCHEMBL269714 0.89 ANO1 (0.42) SMN1; SMN2MEN1KMT2AMAPTALOX5AP
SCHEMBL270077 0.88 ANO1 (0.44) SMN1; SMN2SGMS2ANO1GAALMNA
SCHEMBL269344 0.88 ANO1 (0.43) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL270293 0.87 ALDH1A1 (0.41) SMN1; SMN2MEN1KMT2AMAPTP2RX7
SCHEMBL268964 0.87 KDM4E (0.41) SMN1; SMN2MEN1KMT2AMAPTALOX5AP
SCHEMBL268378 0.86 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AMAPTALOX5AP

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 6 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
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 4330/4885MEN1 4351/4885KMT2A 3516/4885

“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.