Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4771690

O=C(O)C(F)(F)F.[O-][S+](c1ccc(F)cc1)C1CCNCC1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.39
KDM1A O60341 1/20 0.38
SLC6A4 P31645 6/20 0.37
TACR1 P25103 3/20 0.37
SLC6A2 P23975 5/20 0.37
SLC6A3 Q01959 3/20 0.37
CACNA1B Q00975 1/20 0.34
DPP4 P27487 2/20 0.33
HTR1A P08908 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 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
SCHEMBL6774385 0.87 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3HTR1A
Hydrochloric Acid SCHEMBL9041147 0.85 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL20002871 0.77 HTR6 (0.36) SLC6A4TACR1SLC6A2SLC6A3HTR1A
SCHEMBL10795562 0.73 SLC18A3 (0.45) KDM1ASLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL4771696 0.73 HSD11B1 (0.33) DPP4DPP9DPP7
Trifluoroacetic Acid SCHEMBL252584 0.72 MEN1 (0.56)
Maleic Acid SCHEMBL10794704 0.72 HRH1 (0.43) SLC6A4SLC6A2SLC6A3
Fumaric Acid SCHEMBL10794721 0.72 HRH1 (0.43) SLC6A4SLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL5764625 0.72 HSD11B1 (0.40) PRCPSLC6A4SLC6A2SLC6A3CACNA1B
SCHEMBL5214386 0.71 SLC6A4 (0.33) KDM1ASLC6A4

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-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 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-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 PRCP 4385/4885KDM1A 2609/4885SLC6A4 559/4885

“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.