Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9100766

Nc1nc(N2CCN3CCCC3C2)c2sc3c(c2n1)CCCC3.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.35
LMNA P02545 1/20 0.34
HRH4 Q9H3N8 4/20 0.33
MAP4K4 O95819 1/20 0.33
ATR Q13535 1/20 0.32
FABP4 P15090 2/20 0.31
FABP5 Q01469 2/20 0.31
HDAC4 P56524 1/20 0.30
CNR1 P21554 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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 SCHEMBL9104180 0.97 ADRB1 (0.35) ADRB1LMNAHRH4MAP4K4CNR1
SCHEMBL603116 0.91 ADRB1 (0.41) ADRB1LMNAHRH4MAP4K4
SCHEMBL605915 0.88 ADRB1 (0.40) ADRB1LMNAHRH4MAP4K4
Trifluoroacetic Acid SCHEMBL9104338 0.85 HRH3 (0.43) ADRB1HRH4
Trifluoroacetic Acid SCHEMBL9103184 0.83 ADRB1 (0.38) ADRB1HRH4
Trifluoroacetic Acid SCHEMBL9101255 0.83 PRKCI (0.39) ADRB1HRH4
Trifluoroacetic Acid SCHEMBL9232685 0.82 HRH4 (0.39) ADRB1HRH4
Trifluoroacetic Acid SCHEMBL9099585 0.82 HRH4 (0.53) HRH4
Trifluoroacetic Acid SCHEMBL9102466 0.81 HRH4 (0.52) HRH4
Trifluoroacetic Acid SCHEMBL9099087 0.81 HRH4 (0.46) ADRB1HRH4

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 ADRB1 351/4885LMNA 4849/4885HRH4 1/4885
US-20120214792-A1 THIENO- ADN FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 ADRB1 248/4885LMNA 4701/4885HRH4 1/4885
US-20120270855-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 ADRB1 351/4885LMNA 4849/4885HRH4 1/4885

“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.