Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3025153

NC1CC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.36
DPP7 Q9UHL4 6/20 0.33
DPP8 Q6V1X1 5/20 0.33
DPP4 P27487 5/20 0.33
GABRR1 P24046 1/20 0.33
DPP9 Q86TI2 3/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
THRB P10828 1/20 0.31

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 SCHEMBL28133460 0.97 OAT (0.35) OATDPP7DPP8DPP4GABRR1
Trifluoroacetic Acid SCHEMBL3154232 0.97 OAT (0.35) OATDPP7DPP8DPP4GABRR1
Trifluoroacetic Acid SCHEMBL3708706 0.95 OAT (0.34) OATDPP7DPP8DPP4GABRR1
Trifluoroacetic Acid SCHEMBL3043598 0.92 MMP8 (0.33) OATDPP7DPP8DPP4DPP9
Cyclohexylamine SCHEMBL1787821 0.90 ALDH1A1 (0.36) ALDH1A1
Cycloheptanamine SCHEMBL27746259 0.90 ALDH1A1 (0.36) ALDH1A1
Trifluoroacetic Acid SCHEMBL4543549 0.88 EPHX2 (0.33) OAT
Trifluoroacetic Acid SCHEMBL4269674 0.88 EPHX2 (0.33) OAT
Trifluoroacetic Acid SCHEMBL31525039 0.86 GABRA5 (0.43) GABRR1HRH4HRH3
Trifluoroacetic Acid SCHEMBL28212086 0.86 GABRA5 (0.43) GABRR1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105121429-B Complement pathway modulators and uses thereof 诺华股份有限公司 2017-12-12 CN disclosed
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US disclosed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 EP disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO disclosed
CN-101484420-A Indoles as 5-HT 6 modulators BIOVITRUM AB PUBL (SE) 2009-07-15 CN disclosed
CN-101282938-A Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2008-10-08 CN disclosed
CN-1832922-A Sulfonyl-substituted N- (biarylmethyl) aminocyclopropanecarboxamides MERCK & CO INC (US) 2006-09-13 CN disclosed
CN-1649870-A 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD (CH) 2005-08-03 CN 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 (2 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-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers TRPV1, TRPA1, CACNA1D OAT 4013/4885DPP7 650/4885DPP8 760/4885
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D OAT 4013/4885DPP7 650/4885DPP8 760/4885

“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.