Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3909784

O=C(O)C(F)(F)F.O=c1cc(OCc2ccncc2)c2cc(Cl)ccc2o1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.47
▸ SLC6A4 P31645 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ SLC26A4 O43511 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAOB P27338 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
SCHEMBL3913233 0.90 AR (0.47) ARSLC6A4MKNK2MAOAACHE
Trifluoroacetic Acid SCHEMBL3923215 0.88 LRRK2 (0.44) SLC6A4KMT2A
Trifluoroacetic Acid SCHEMBL3921377 0.84 KMO (0.44) SLC6A4ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL3918872 0.83 MRGPRX4 (0.44) —
Trifluoroacetic Acid SCHEMBL3911182 0.82 RHOC (0.42) —
SCHEMBL13840577 0.81 PKM (0.54) ALDH1A1MAOAMAOB
Trifluoroacetic Acid SCHEMBL5728404 0.81 HTR2C (0.44) ALDH1A1MAOB
Trifluoroacetic Acid SCHEMBL3913356 0.80 HTR2C (0.45) ALDH1A1MAOB
Trifluoroacetic Acid SCHEMBL3923252 0.79 KCNA3 (0.46) ALDH1A1MAOB
Trifluoroacetic Acid SCHEMBL3925125 0.78 KCNA3 (0.45) ALDH1A1MAOB

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
EP-1667988-B1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMA INC (US) 2013-04-10 — — EP disclosed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 — — US disclosed
EP-1667988-A1 COUMARINS AS INOS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-06-14 — — EP disclosed
WO-2005026143-A1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 — — WO disclosed
US-20050054681-A1 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 — — 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-20050054681-A1 Coumarins as iNOS inhibitors NOS2, NOS1, NOS3 AR 4760/4885SLC6A4 3218/4885MKNK2 1512/4885

“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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