SCHEMBL2037620

SCHEMBL2037620

COc1cc(C(C)(C)c2cnc(SCc3c(F)cc(S(=O)(=O)N4CCC([N+](C)(C)C)CC4)cc3Cl)n2-c2ccc(F)cc2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 20/20 0.58
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL15380577 0.97 GPBAR1 (0.58) GPBAR1NR1H4
SCHEMBL15382876 0.97 GPBAR1 (0.56) GPBAR1NR1H4
SCHEMBL15380889 0.97 GPBAR1 (0.56) GPBAR1NR1H4
SCHEMBL15380152 0.97 GPBAR1 (0.56) GPBAR1NR1H4
SCHEMBL1984229 0.96 GPBAR1 (0.58) GPBAR1NR1H4
SCHEMBL15380188 0.95 GPBAR1 (0.57) GPBAR1NR1H4
SCHEMBL15380493 0.94 GPBAR1 (0.59) GPBAR1NR1H4
SCHEMBL15382911 0.93 GPBAR1 (0.55) GPBAR1NR1H4
SCHEMBL15380821 0.93 GPBAR1 (0.55) GPBAR1NR1H4
SCHEMBL15380858 0.93 GPBAR1 (0.55) GPBAR1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846739-B2 TGR5 agonists EXELIXIS PATENT COMPANY LLC (US) 2014-09-30 US claimed
US-20130303505-A1 TGR5 AGONISTS EXELIXIS PATENT COMPANY LLC 2013-11-14 US claimed
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-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
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 12/4885NR1H4 82/4885

“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.