Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1740356

Cc1nccc(C2CNC2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.41
HRH3 Q9Y5N1 5/20 0.41
SORT1 Q99523 2/20 0.38
MAP3K12 Q12852 2/20 0.38
CHRNA7 P36544 1/20 0.37
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SSTR4 P31391 1/20 0.34

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
SCHEMBL7899620 0.85 MAP4K4 (0.38) HRH3MAP3K12CHRNA7
Trifluoroacetic Acid SCHEMBL30527647 0.83 HRH4 (0.39) HRH4HRH3CHRNA7SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL1741735 0.77 CHRNA7 (0.38) HRH4HRH3CHRNA7SLC6A2SLC6A4
SCHEMBL19045059 0.73 MAP3K12 (0.44) MAP3K12
Trifluoroacetic Acid SCHEMBL20641568 0.73 KDM5C (0.39) HRH4HRH3MAP3K12CHRNA7
Trifluoroacetic Acid SCHEMBL20743082 0.71 SLC6A2 (0.41) CHRNA7SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL27659159 0.71 CXCR4 (0.42) HRH4HRH3SORT1
SCHEMBL15587845 0.71 MAP3K12 (0.54) MAP3K12
Trifluoroacetic Acid SCHEMBL21063472 0.70 P4HA1 (0.45) CHRNA7
Trifluoroacetic Acid SCHEMBL30669857 0.70 KDM1A (0.38) HRH4HRH3CHRNA7SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-8618117-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2013-12-31 US disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
EP-2389382-A1 Amino-heterocyclic compounds used as pde9 inhibitors Pfizer Inc. (US) 2011-11-30 EP disclosed
US-8041687-B2 Dynamic generation of XML Schema for backend driven data validation INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-18 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 WO 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-20120329777-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A HRH4 2934/4885HRH3 2227/4885SORT1 3392/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A HRH4 2934/4885HRH3 2227/4885SORT1 3392/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A HRH4 2934/4885HRH3 2227/4885SORT1 3392/4885

“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.