Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15380862

COc1cc(C(C)(C)c2cnc(SCc3c(F)cc(S(=O)(=O)N(C)CCC[N+](C)(C)C)cc3F)n2-c2ccc(F)cc2)ccc1Cl.O=C([O-])C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 18/20 0.60

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 SCHEMBL15380685 0.98 GPBAR1 (0.57) GPBAR1
SCHEMBL15380824 0.95 GPBAR1 (0.58) GPBAR1
Trifluoroacetic Acid SCHEMBL16105090 0.94 GPBAR1 (0.57) GPBAR1
Trifluoroacetic Acid SCHEMBL15380588 0.93 GPBAR1 (0.62) GPBAR1
Trifluoroacetic Acid SCHEMBL15379863 0.93 GPBAR1 (0.70) GPBAR1
Trifluoroacetic Acid SCHEMBL15380595 0.93 GPBAR1 (0.67) GPBAR1
SCHEMBL15382915 0.93 GPBAR1 (0.56) GPBAR1
SCHEMBL15380854 0.93 GPBAR1 (0.58) GPBAR1
Trifluoroacetic Acid SCHEMBL15380510 0.92 GPBAR1 (0.62) GPBAR1
Trifluoroacetic Acid SCHEMBL15380647 0.91 GPBAR1 (0.56) 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 2 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 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.