Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2236181

COc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C(=O)NCc3ccc(C4=NCC(C)(C)N4)cc3)co2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.40
PPARA Q07869 5/20 0.34
CXCR3 P49682 1/20 0.34
PKM P14618 2/20 0.34
MAPT P10636 3/20 0.33
PPARD Q03181 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK14 Q16539 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PPARG P37231 2/20 0.33
TP53 P04637 2/20 0.33
AKR1C3 P42330 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
Trifluoroacetic Acid SCHEMBL1936321 1.00 BDKRB1 (0.40) BDKRB1PPARACXCR3PKMMAPT
Trifluoroacetic Acid SCHEMBL3263454 0.96 BDKRB1 (0.37) BDKRB1PPARACXCR3PKMMAPT
SCHEMBL12346708 0.95 BDKRB1 (0.43) BDKRB1CXCR3PKMMAPTNPC1
Trifluoroacetic Acid SCHEMBL2241929 0.93 BDKRB1 (0.39) BDKRB1PPARAPKMMAPTNPC1
SCHEMBL12346709 0.88 BDKRB1 (0.42) BDKRB1MAPTNPC1RAB9APOLB
Trifluoroacetic Acid SCHEMBL2236229 0.84 PKM (0.44) CXCR3PKMLMNA
SCHEMBL2237280 0.83 BDKRB1 (0.57) BDKRB1PKM
Trifluoroacetic Acid SCHEMBL2234999 0.82 TSHR (0.43) CXCR3POLBALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL2238818 0.82 TSHR (0.42) CXCR3POLBALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL2243218 0.82 TSHR (0.42) CXCR3POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US claimed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885PPARA 4126/4885CXCR3 222/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885PPARA 4286/4885CXCR3 225/4885

“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.