Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3912558

N=C(N)NCCCOc1cc(=O)oc2ccc(Cl)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ PPARA Q07869 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RHOC P08134 1/20 0.36
▸ RHOA P61586 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3913362 0.93 KCNA3 (0.42) MCL1KCNA3ALDH1A1SMN1; SMN2KDM4E
Trifluoroacetic Acid SCHEMBL3912353 0.87 KCNA3 (0.55) KCNA3MAOB
Trifluoroacetic Acid SCHEMBL3910499 0.86 ALDH1A1 (0.51) HTR2CMCL1KCNA3PPARAALDH1A1
Trifluoroacetic Acid SCHEMBL3913356 0.86 HTR2C (0.45) HTR2CMCL1KCNA3PPARAALDH1A1
Trifluoroacetic Acid SCHEMBL3923252 0.85 KCNA3 (0.46) HTR2CMCL1KCNA3PPARAALDH1A1
Trifluoroacetic Acid SCHEMBL5728404 0.84 HTR2C (0.44) HTR2CMCL1KCNA3PPARAALDH1A1
Trifluoroacetic Acid SCHEMBL3914597 0.84 KCNA3 (0.53) KCNA3SMN1; SMN2MAOBHPGD
Trifluoroacetic Acid SCHEMBL3925125 0.84 KCNA3 (0.45) HTR2CMCL1KCNA3PPARAALDH1A1
Trifluoroacetic Acid SCHEMBL3911182 0.83 RHOC (0.42) RHOCRHOA
SCHEMBL3922173 0.81 GFER (0.49) KCNA3ALDH1A1LMNAKDM4EMEN1

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
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
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 HTR2C 2770/4885MCL1 2649/4885KCNA3 3807/4885

“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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