Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3035440

CC(C)(C1CCN(c2nc3ccccc3[nH]2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CACNA1B Q00975 2/20 0.48
NR1I2 O75469 1/20 0.48
MGLL Q99685 4/20 0.46
TRPC3 Q13507 1/20 0.45
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL13221679 0.95 TRPC3 (0.50) CYP3A4CACNA1BNR1I2MGLLTRPC3
Trifluoroacetic Acid SCHEMBL3034909 0.80 KMT2A (0.55) CYP3A4CACNA1BNR1I2LMNA
SCHEMBL3025290 0.79 CACNA1B (0.51) CYP3A4CACNA1BNR1I2TP53HTR6
Trifluoroacetic Acid SCHEMBL3036303 0.78 CYP3A4 (0.48) CYP3A4CACNA1BNR1I2HTR6
SCHEMBL3038156 0.77 MEN1 (0.49) CYP3A4CACNA1BNR1I2MAPTTP53
Trifluoroacetic Acid SCHEMBL3035212 0.77 CYP3A4 (0.49) CYP3A4CACNA1BNR1I2MAPTTP53
SCHEMBL3025143 0.77 CACNA1B (0.54) CYP3A4CACNA1BNR1I2MAPTTP53
SCHEMBL15103519 0.76 CACNA1B (0.60) CYP3A4CACNA1BNR1I2LMNA
SCHEMBL3025286 0.76 CACNA1B (0.61) CYP3A4CACNA1BNR1I2
SCHEMBL3042305 0.75 CYP3A4 (0.49) CYP3A4CACNA1BNR1I2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205083-B1 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME (US) 2013-07-17 EP claimed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US claimed
EP-2205083-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 EP claimed
WO-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 WO claimed
EP-2205083-B1 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME (US) 2013-07-17 EP 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
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US 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 CYP3A4 939/4885CACNA1B 23/4885NR1I2 765/4885
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D CYP3A4 939/4885CACNA1B 23/4885NR1I2 765/4885

“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.