Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17669752

NC(=O)N1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC1.NC(=O)N1CCN(c2ncc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)o2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 16/20 0.72
▸ KCNH2 Q12809 4/20 0.54

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
SCHEMBL16049014 0.85 AOC3 (1.00) AOC3KCNH2
SCHEMBL16053770 0.84 AOC3 (0.78) AOC3KCNH2
SCHEMBL16047574 0.84 AOC3 (0.93) AOC3KCNH2
Hydrochloric Acid SCHEMBL16048739 0.83 AOC3 (0.77) AOC3KCNH2
SCHEMBL16049436 0.81 AOC3 (1.00) AOC3KCNH2
Trifluoroacetic Acid SCHEMBL21931202 0.79 AOC3 (0.77) AOC3KCNH2
SCHEMBL25765426 0.77 AOC3 (0.79) AOC3KCNH2
SCHEMBL16049471 0.77 AOC3 (0.78) AOC3KCNH2
SCHEMBL20924301 0.75 AOC3 (0.79) AOC3KCNH2
SCHEMBL25764999 0.75 AOC3 (0.79) AOC3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN Benevolentai Cambridge Limited (GB) 2018-12-20 — — US disclosed
US-20160101072-A1 Therapeutic uses of enzyme inhibitors PROXIMAGEN LIMITED (GB) 2016-04-14 — — 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-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 AOC3 55/4885KCNH2 1764/4885
US-20160101072-A1 Therapeutic uses of enzyme inhibitors VAPB, VAPA, AOX1 AOC3 21/4885KCNH2 3480/4885

“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.

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