Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1741735

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(C2CNC2)ncn1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.38
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 2/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
KDM1A O60341 1/20 0.36
KDM5A P29375 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CCR2 P41597 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNA4 P43681 3/20 0.34
SSTR4 P31391 2/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33

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
SCHEMBL3723540 0.84 CHRNB4 (0.37) CHRNA7KDM5AHRH3CAMKK2CHRNB2
Trifluoroacetic Acid SCHEMBL30527647 0.77 HRH4 (0.39) CHRNA7KCNH2CYP2D6HRH4HRH3
Trifluoroacetic Acid SCHEMBL1740356 0.77 HRH4 (0.41) CHRNA7HRH4HRH3SSTR4SLC6A2
Trifluoroacetic Acid SCHEMBL20743082 0.77 SLC6A2 (0.41) CHRNA7KDM1ASLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL21063472 0.75 P4HA1 (0.45) CHRNA7L3MBTL1CYP1A2CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL31126136 0.73 KDM4E (0.48) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL30527484 0.72 KDM1A (0.41) CHRNA7KCNH2CYP2D6DPP4DPP8
Trifluoroacetic Acid SCHEMBL20641568 0.72 KDM5C (0.39) CHRNA7KDM1AHRH4HRH3L3MBTL1
SCHEMBL20577255 0.71 HTR3A (0.41) KCNH2KDM5A
SCHEMBL20577257 0.71 HTR3A (0.41) KCNH2KDM5A

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 CHRNA7 114/4885KCNH2 1791/4885CYP2D6 1229/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A CHRNA7 114/4885KCNH2 1791/4885CYP2D6 1229/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A CHRNA7 114/4885KCNH2 1791/4885CYP2D6 1229/4885

“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.