Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5630798

C[C@@H]1CN(C)CCN1c1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.49
GCKR Q14397 2/20 0.45
NOTUM Q6P988 1/20 0.45
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
SMO Q99835 3/20 0.41
MAPK1 P28482 1/20 0.40
CCR2 P41597 1/20 0.39
DRD2 P14416 4/20 0.39
DRD4 P21917 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
EPHX2 P34913 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD3 P35462 2/20 0.37

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 SCHEMBL5631156 1.00 TRPV4 (0.49) TRPV4GCKRNOTUMDPP4DPP7
SCHEMBL5630781 0.90 TRPV4 (0.53) TRPV4GCKRNOTUMSMOMAPK1
SCHEMBL5633089 0.90 TRPV4 (0.53) TRPV4GCKRNOTUMSMOMAPK1
SCHEMBL5630774 0.90 TRPV4 (0.53) TRPV4GCKRNOTUMSMOMAPK1
Trifluoroacetic Acid SCHEMBL5632963 0.87 MAPK13 (0.42) TRPV4NOTUMMAPK1CCR2
Trifluoroacetic Acid SCHEMBL5632900 0.87 MAPK13 (0.42) TRPV4NOTUMMAPK1CCR2
Trifluoroacetic Acid SCHEMBL5631307 0.85 NOTUM (0.49) TRPV4NOTUMMAPK1CCR2
Trifluoroacetic Acid SCHEMBL5632724 0.85 NOTUM (0.49) TRPV4NOTUMMAPK1CCR2
Trifluoroacetic Acid SCHEMBL5633024 0.83 FFAR4 (0.47) TRPV4NOTUMDPP4DPP7SMO
Trifluoroacetic Acid SCHEMBL5632815 0.83 TRPV4 (0.44) TRPV4NOTUMDPP4DPP7SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. 2007-08-02 US disclosed
CN-1809545-A N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5HT2c ARENA PHARM INC (US) 2006-07-26 CN disclosed
EP-1644347-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT sb 2C /sb RECEPTOR ASSOCIATED DISEASES Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005016902-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-02-24 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 (1 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-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases HTR2C, HTR2A, HTR5A TRPV4 946/4885GCKR 799/4885NOTUM 2500/4885

“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.