SCHEMBL5377732

SCHEMBL5377732

CCSc1ccc(CC(C(C)=O)C(=O)OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.51
MAOA P21397 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
PTPRB P23467 1/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PPARG P37231 5/20 0.41
PPARA Q07869 4/20 0.41
PPARD Q03181 3/20 0.41
LDHA P00338 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL4849611 0.83 PTPRB (0.51) PTPRBPPARGPPARAPPARDLDHA
SCHEMBL6506164 0.80 ESR1 (0.61) PTPRBNPC1RAB9APPARGPPARA
SCHEMBL3800254 0.78 LDHA (0.67) SLC6A4PTPRBPPARGPPARAPPARD
SCHEMBL2569999 0.78 PTPRB (0.50) MAOAPTPRBNPC1RAB9APPARG
SCHEMBL855971 0.78 NOS2 (0.50) PTPRBPPARGPPARAPPARDLDHA
SCHEMBL1259770 0.78 MMP8 (0.54) PTPRBNPC1RAB9APPARGPPARA
SCHEMBL6310915 0.77 LOXL2 (0.53) PTPRBNPC1RAB9APPARGPPARA
SCHEMBL2568258 0.76 ALDH1A1 (0.49) PTPRBNPC1RAB9APPARGPPARA
SCHEMBL21445743 0.75 POLB (0.55) PTPRBNPC1RAB9APPARGPPARA
SCHEMBL6655677 0.75 MMP8 (0.48) SLC6A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271153-B2 Treating diseases associated with hyperglycemia such as diabetes; SGLT2 (sodium/glucose cotransporter 2) inhibitor; 3-(4-Ethylbenzyl)-2-(beta-D-glucopyranosyloxy)-4,6-dimethyl-pyridine for example KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-09-18 US disclosed
US-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-03-03 US disclosed
EP-1405859-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-04-07 EP 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-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor GPR119, NPR3, SLC5A2 SLC6A4 981/4885MAOA 1413/4885TAS1R3 1996/4885

“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.