Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9101409

CC(C)N1CCN(c2nc(N)nc3c4c(sc23)CCCC4)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.41
CNR1 P21554 2/20 0.37
GPR55 Q9Y2T6 2/20 0.37
HRH4 Q9H3N8 9/20 0.37
UHRF1 Q96T88 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
ACACA Q13085 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL601988 0.90 ADRB1 (0.49) ADRB1CNR1GPR55HRH4MEN1
Trifluoroacetic Acid SCHEMBL9099087 0.88 HRH4 (0.46) ADRB1HRH4MEN1KMT2A
Trifluoroacetic Acid SCHEMBL9101035 0.86 ADRB1 (0.41) ADRB1HRH4PIK3CAMTORACACA
Trifluoroacetic Acid SCHEMBL9101425 0.83 PRKCZ (0.44) ADRB1HRH4PIK3CAMTORACACA
Trifluoroacetic Acid SCHEMBL9103184 0.82 ADRB1 (0.38) ADRB1HRH4ALDH1A1KDM4EMAPT
Trifluoroacetic Acid SCHEMBL9104338 0.80 HRH3 (0.43) ADRB1HRH4
SCHEMBL2802163 0.80 ADRB1 (0.46) ADRB1CNR1GPR55HRH4PIK3CA
Trifluoroacetic Acid SCHEMBL9099585 0.79 HRH4 (0.53) HRH4
Trifluoroacetic Acid SCHEMBL9100766 0.79 ADRB1 (0.35) ADRB1CNR1GPR55HRH4LMNA
Trifluoroacetic Acid SCHEMBL9232685 0.79 HRH4 (0.39) 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 351/4885CNR1 121/4885GPR55 30/4885
US-20120214792-A1 THIENO- ADN FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 ADRB1 248/4885CNR1 180/4885GPR55 35/4885
US-20120270855-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 ADRB1 351/4885CNR1 121/4885GPR55 30/4885

“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.