Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1788968

NC1Cc2ccccc2C1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
CES1 P23141 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM1A O60341 1/20 0.39
ANPEP P15144 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
PNMT P11086 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 SCHEMBL31373437 0.80 KDM4E (0.47) SIGMAR1KDM1AANPEPKDM4EALDH1A1
SCHEMBL6941 0.78 PLAU (0.68) PLAUSIGMAR1CA12CA1CA2
SCHEMBL29365759 0.78 PLAU (0.68) PLAUSIGMAR1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL28756078 0.78 DPP4 (0.38) CA12CA1CA2CA7CA14
Trifluoroacetic Acid SCHEMBL4280586 0.76 KDM4E (0.42) SIGMAR1KDM1AANPEPKDM4EALDH1A1
Hydrochloric Acid SCHEMBL29384401 0.76 PLAU (0.65) PLAUSIGMAR1CA1CA2KDM1A
Hydrochloric Acid SCHEMBL151479 0.76 PLAU (0.65) PLAUSIGMAR1CA1CA2KDM1A
Trifluoroacetic Acid SCHEMBL4652712 0.75 ALDH1A1 (0.41) SIGMAR1KDM1AKDM4EALDH1A1LMNA
SCHEMBL16595708 0.74 PNMT (0.39) CES1ALDH1A1MAPTPNMT
Hydrochloric Acid SCHEMBL4543313 0.74 PLAU (0.62) PLAUSIGMAR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 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 (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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 PLAU 3414/4885CES1 3131/4885SIGMAR1 12/4885

“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.