Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2497032

CN1CCN(c2nc(N)nc3c2sc2cc(C(F)(F)F)ccc23)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 18/20 0.87
▸ ADRB2 P07550 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL601896 0.93 HRH4 (1.00) HRH4
Trifluoroacetic Acid SCHEMBL2499292 0.89 HRH4 (0.81) HRH4
Trifluoroacetic Acid SCHEMBL2498382 0.89 HRH4 (0.81) HRH4
Trifluoroacetic Acid SCHEMBL2502817 0.87 HRH4 (0.82) HRH4
Trifluoroacetic Acid SCHEMBL2497888 0.84 HRH4 (0.83) HRH4
Trifluoroacetic Acid SCHEMBL2496493 0.83 HRH4 (0.88) HRH4
Trifluoroacetic Acid SCHEMBL2499210 0.83 HRH4 (0.88) HRH4
Trifluoroacetic Acid SCHEMBL2498046 0.83 HRH4 (0.81) HRH4
Trifluoroacetic Acid SCHEMBL2497492 0.78 HRH4 (0.55) HRH4
SCHEMBL605516 0.78 HRH4 (1.00) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040549-B1 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 — — EP disclosed
US-8030321-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2011-10-04 — — US disclosed
US-20090325927-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor CHAVEZ FRANK 2009-12-31 — — US disclosed
US-7576092-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 — — US disclosed
US-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 — — 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 (2 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-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor HRH4, HRH1, HRH2 HRH4 1/4885ADRB2 752/4885ADRA2A 1874/4885
US-20090325927-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor HRH4, HRH1, HRH2 HRH4 1/4885ADRB2 752/4885ADRA2A 1874/4885

“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.

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