Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5111885

COc1cc(CN(CCN)C(=O)c2ccccc2)ccc1OCc1ccccc1F.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.52
LPAR1 Q92633 3/20 0.48
FFAR4 Q5NUL3 1/20 0.47
LPAR5 Q9H1C0 2/20 0.47
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN3A Q9NY46 1/20 0.44
RAF1 P04049 3/20 0.44
MAP2K1 Q02750 3/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 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
SCHEMBL14078195 0.95 TRPM8 (0.56) TRPM8LPAR1LPAR5KMT2AHTT
Trifluoroacetic Acid SCHEMBL5106762 0.91 TRPM8 (0.62) TRPM8KMT2ARAB9ARAF1MAP2K1
Trifluoroacetic Acid SCHEMBL5114908 0.91 TRPM8 (0.59) TRPM8LPAR1FFAR4LPAR5KMT2A
SCHEMBL14078270 0.89 TRPM8 (0.51) TRPM8LPAR1LPAR5KMT2AHTT
Trifluoroacetic Acid SCHEMBL5320030 0.88 TRPM8 (0.56) TRPM8FFAR4KMT2AHTTRAB9A
SCHEMBL14078273 0.87 TRPM8 (0.54) TRPM8LPAR1LPAR5KMT2ATSHR
SCHEMBL5187485 0.85 LPAR1 (0.48) TRPM8LPAR1LPAR5KMT2AHTT
SCHEMBL5107779 0.85 TRPM8 (0.62) TRPM8LPAR1LPAR5KMT2AHTT
Trifluoroacetic Acid SCHEMBL5111898 0.85 TRPM8 (0.54) TRPM8LPAR1LPAR5KMT2ARAF1
SCHEMBL14078347 0.84 TRPM8 (0.69) TRPM8KMT2ARAB9ARAF1MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
EP-1802600-A1 SUBSTITUTED 4-BENZYLOXY-PHENYLMETHYLAMIDE DERIVATIVES AS COLD MENTHOL RECEPTOR-1 (CMR-1) ANTAGONITS FOR THE TREATMENT OF UROLOGICAL DISORDERS Bayer HealthCare AG (DE) 2007-07-04 EP disclosed
WO-2006040136-A1 SUBSTITUTED 4-BENZYLOXY-PHENYLMETHYLAMIDE DERIVATIVES AS COLD MENTHOL RECEPTOR-1 (CMR-1) ANTAGONISTS FOR THE TREATMENT OF UROLOGICAL DISORDER BAYER HEALTHCARE AG (DE) 2006-04-20 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-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives OPRL1, ADRA1A, CNR1 TRPM8 124/4885LPAR1 210/4885FFAR4 802/4885

“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.