Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17222000

NCc1ccc(Cl)cc1C[N+]1(C(=O)[C@H]2CCCO2)CCCC1C(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.42
F10 P00742 7/20 0.38
PRSS1 P07477 7/20 0.38
PRSS2 P07478 7/20 0.38
PRSS3 P35030 7/20 0.38
F12 P00748 6/20 0.37
F7 P08709 6/20 0.37
F9 P00740 2/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.32

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 SCHEMBL17221932 0.77 F2 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924463 0.76 F2 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924800 0.76 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924250 0.75 F2 (0.47) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924283 0.74 F2 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL6921526 0.73 F2 (0.47) F2F10PRSS1PRSS2PRSS3
SCHEMBL6926517 0.73 F2 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924535 0.73 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL6923244 0.72 F2 (0.46) F2F10PRSS1PRSS2PRSS3
SCHEMBL6926522 0.72 F2 (0.47) F2F10PRSS1PRSS2PRSS3

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-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 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-20150315141-A1 Thrombin Inhibitors F3, F2, F9 F2 2/4885F10 24/4885PRSS1 766/4885

“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.