Sugi Predict

Sugi Predict / Compounds / SCHEMBL3601517

SCHEMBL3601517

SCHEMBL3601517

CCCCN(CCCC)CCS(=O)(=O)N(CC(=O)O)c1ccc(C(=O)c2c(C)c(OC)c3ccccn23)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 2/20 0.35
▸ KEAP1 Q14145 2/20 0.34
▸ NFE2L2 Q16236 2/20 0.34
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 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
SCHEMBL3597180 0.91 MAPT (0.34) NPC1GAAATMRXFP1ALDH1A1
SCHEMBL3597898 0.91 NPC1 (0.35) NPC1GAAATMRXFP1ALDH1A1
SCHEMBL3600229 0.86 NPC1 (0.38) NPC1GAAATMRXFP1ALDH1A1
SCHEMBL3600864 0.83 NPC1 (0.39) NPC1GAAATMRXFP1ALDH1A1
SCHEMBL3604756 0.82 SMN1; SMN2 (0.32) NPC1GAAATMRXFP1LMNA
Hydrochloric Acid SCHEMBL3595369 0.82 NPC1 (0.38) NPC1GAAATMRXFP1ALDH1A1
Hydrochloric Acid SCHEMBL3606134 0.82 SMN1; SMN2 (0.31) NPC1GAAATMRXFP1MAPT
SCHEMBL3598724 0.81 NPC1 (0.39) NPC1GAAATMRXFP1ALDH1A1
Hydrochloric Acid SCHEMBL3596333 0.80 NPC1 (0.39) NPC1GAAATMRXFP1ALDH1A1
Hydrochloric Acid SCHEMBL3602933 0.79 NPC1 (0.40) NPC1GAAATMRXFP1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803811-B2 1,2,3-substituted indolizine derivatives, inhibitors of FGFs, method for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2010-09-28 — — US disclosed
US-20090023770-A1 Novel 1,2,3-Substituted Indolizine Derivatives, Inhibitors of FGFs, Method for Preparing Them and Pharmaceutical Compositions Containing Them SANOFI-AVENTIS (FR) 2009-01-22 — — US disclosed
US-7442708-B2 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-10-28 — — US disclosed
US-20050203126-A1 Novel 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same SANOFI (FR) 2005-09-15 — — US 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 (2 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-20050203126-A1 Novel 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same FGFR3, FGFR1, NTRK3 NPC1 2040/4885GAA 4090/4885ATM 3197/4885
US-20090023770-A1 Novel 1,2,3-Substituted Indolizine Derivatives, Inhibitors of FGFs, Method for Preparing Them and Pharmaceutical Compositions Containing Them FGF2, FGF1, FGFR1 NPC1 2760/4885GAA 2443/4885ATM 3401/4885

“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.