SCHEMBL1979189

SCHEMBL1979189

COc1cc(-n2c(C(C)(C)c3ccc(S(N)(=O)=O)c(Cl)c3)cnc2SCc2c(F)cc(CCC[N+](C)(C)C)cc2F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 19/20 0.49

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
Trifluoroacetic Acid SCHEMBL1982214 0.95 GPBAR1 (0.47) GPBAR1
SCHEMBL16105099 0.94 GPBAR1 (0.52) GPBAR1
SCHEMBL1982848 0.92 GPBAR1 (0.54) GPBAR1
SCHEMBL2029742 0.90 GPBAR1 (0.52) GPBAR1
Trifluoroacetic Acid SCHEMBL15380405 0.87 GPBAR1 (0.48) GPBAR1
SCHEMBL602164 0.87 GPBAR1 (0.52) GPBAR1
Hydrochloric Acid SCHEMBL1981251 0.86 GPBAR1 (0.49) GPBAR1
SCHEMBL1982217 0.86 GPBAR1 (0.44) GPBAR1
SCHEMBL1983378 0.85 GPBAR1 (0.48) GPBAR1
Hydrochloric Acid SCHEMBL1981254 0.85 GPBAR1 (0.47) GPBAR1

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
EP-2509960-A1 TGR5 AGONISTS Exelixis, Inc. (US) 2012-10-17 EP claimed
WO-2011071565-A1 TGR5 AGONISTS EXELIXIS, INC. (US) 2011-06-16 WO claimed
US-8846739-B2 TGR5 agonists EXELIXIS PATENT COMPANY LLC (US) 2014-09-30 US disclosed
US-20130303505-A1 TGR5 AGONISTS EXELIXIS PATENT COMPANY LLC 2013-11-14 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-20130303505-A1 TGR5 AGONISTS GCGR, NPY5R, TBXA2R GPBAR1 12/4885

“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.