SCHEMBL15380665

SCHEMBL15380665

COc1cc(-n2c(C(C)(C)c3ccc(Cl)c(Cl)c3)cnc2SCc2c(F)cc(C(=O)NCC[N+]34CCN(CC3)CC4)cc2Cl)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 18/20 0.47

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
SCHEMBL15380384 0.93 GPBAR1 (0.56) GPBAR1
SCHEMBL15380749 0.91 GPBAR1 (0.56) GPBAR1
Hydrochloric Acid SCHEMBL15380557 0.90 GPBAR1 (0.55) GPBAR1
SCHEMBL15383100 0.89 GPBAR1 (0.52) GPBAR1
SCHEMBL1984468 0.88 GPBAR1 (0.51) GPBAR1
SCHEMBL2013545 0.87 GPBAR1 (0.42) GPBAR1
SCHEMBL15382903 0.85 GPBAR1 (0.47) GPBAR1
SCHEMBL1982519 0.85 GPBAR1 (0.47) GPBAR1
SCHEMBL601478 0.85 GPBAR1 (0.51) GPBAR1
SCHEMBL605231 0.85 GPBAR1 (0.51) 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 6 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
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 12/4885

“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.