Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9102466

CN[C@@H]1CCN(c2nc(N)nc3c4c(sc23)CCCCC4)C1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 20/20 0.52
HRH3 Q9Y5N1 2/20 0.46

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 SCHEMBL9099585 0.99 HRH4 (0.53) HRH4HRH3
SCHEMBL605734 0.91 HRH4 (0.61) HRH4HRH3
SCHEMBL9883826 0.91 HRH4 (0.61) HRH4HRH3
SCHEMBL605945 0.90 HRH4 (0.63) HRH4HRH3
SCHEMBL605850 0.90 HRH4 (0.63) HRH4HRH3
Trifluoroacetic Acid SCHEMBL9100812 0.90 HRH4 (0.42) HRH4HRH3
Trifluoroacetic Acid SCHEMBL9100782 0.89 HRH4 (0.51) HRH4HRH3
Trifluoroacetic Acid SCHEMBL4131107 0.86 HRH4 (0.49) HRH4HRH3
Trifluoroacetic Acid SCHEMBL4135103 0.86 HRH4 (0.49) HRH4HRH3
Trifluoroacetic Acid SCHEMBL9104338 0.86 HRH3 (0.43) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937075-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2015-01-20 US disclosed
US-8927555-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2015-01-06 US disclosed
US-8445482-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2013-05-21 US disclosed
US-20120270855-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR EDWARDS JAMES P (US) 2012-10-25 US disclosed
US-20120214792-A1 THIENO- ADN FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR EDWARDS JAMES P (US) 2012-08-23 US disclosed
US-20120208793-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Timoneda, Jesús Joanós 2012-08-16 US disclosed
US-8193178-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-06-05 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 (3 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-20120208793-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885
US-20120214792-A1 THIENO- ADN FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885
US-20120270855-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885

“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.