SCHEMBL14548302

SCHEMBL14548302

CC[C@](C)(CC(=O)OC)Oc1ccc(CCCn2ccc3cc(OS(C)(=O)=O)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ PLA2G4A P47712 7/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PPARG P37231 7/20 0.38
▸ PPARA Q07869 6/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ BCL2 P10415 1/20 0.36
▸ MCL1 Q07820 1/20 0.36

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
SCHEMBL14548300 1.00 MTNR1A (0.41) MTNR1AMTNR1BRORCPLA2G4ATP53
SCHEMBL14526466 0.86 MTNR1A (0.42) MTNR1AMTNR1BRORCPLA2G4ATP53
SCHEMBL14526668 0.86 MTNR1A (0.42) MTNR1AMTNR1BRORCPLA2G4ATP53
SCHEMBL5658238 0.84 PPARG (0.44) PLA2G4APPARGPPARAPPARDBCL2
SCHEMBL5661074 0.84 PPARG (0.44) PLA2G4APPARGPPARAPPARDBCL2
SCHEMBL14526736 0.83 RORC (0.41) MTNR1AMTNR1BRORCPLA2G4APPARG
SCHEMBL5660741 0.83 PPARG (0.49) PPARGPPARAPPARDBCL2MCL1
SCHEMBL5661012 0.81 PPARA (0.42) MTNR1AMTNR1BPLA2G4APPARGPPARA
SCHEMBL14548338 0.81 BCL2 (0.39) MTNR1AMTNR1BRORCPLA2G4APPARG
SCHEMBL14548301 0.81 BCL2 (0.39) MTNR1AMTNR1BRORCPLA2G4APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 — — 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 (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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 MTNR1A 373/4885MTNR1B 212/4885RORC 580/4885

“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.

Send feedback