Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2238189

O=C(O)C(F)(F)F.OC1(/C=C/c2cccnc2)CCNCC1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
PFKFB3 Q16875 1/20 0.41
CYP1A1 P04798 5/20 0.41
CYP1A2 P05177 5/20 0.41
CYP1B1 Q16678 5/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KMT2A Q03164 1/20 0.40
NTSR1 P30989 1/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 4/20 0.39
APAF1 O14727 1/20 0.38
POLB P06746 1/20 0.38

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 SCHEMBL2238197 1.00 MAPT (0.46) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL2236227 0.89 RAB9A (0.49) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL2236225 0.89 RAB9A (0.49) MAPTRAB9AKDM4ENPC1JUN
Trifluoroacetic Acid SCHEMBL2238726 0.85 JUN (0.41) MAPTKDM4EJUNNFKB1MAPK1
Trifluoroacetic Acid SCHEMBL2238735 0.85 JUN (0.41) MAPTKDM4EJUNNFKB1MAPK1
SCHEMBL2238194 0.79 RAB9A (0.44) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL2238193 0.79 RAB9A (0.44) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL2243228 0.75 MAPT (0.47) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL1936081 0.75 MAPT (0.47) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL5236707 0.74 OPRM1 (0.42) MAPTCYP1A2CYP1B1CYP2D6TDP1

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-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 MAPT 2733/4885RAB9A 2719/4885KDM4E 2806/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MAPT 2466/4885RAB9A 2507/4885KDM4E 2968/4885

“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.