Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3914597

N=C(N)NCCOc1cc(=O)oc2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.53
▸ PTGS2 P35354 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ CYP19A1 P11511 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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 SCHEMBL3912353 0.97 KCNA3 (0.55) KCNA3PTGS2CA12CA1CA9
SCHEMBL3918098 0.92 KCNA3 (0.57) KCNA3PTGS2CA12CA1CA9
SCHEMBL3918141 0.89 KCNA3 (0.60) KCNA3PTGS2CA12CA1CA9
Trifluoroacetic Acid SCHEMBL3911993 0.84 KCNA3 (0.60) KCNA3PTGS2CA12CA1CA9
Trifluoroacetic Acid SCHEMBL3912558 0.84 HTR2C (0.39) KCNA3MAOBHPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3911178 0.84 KCNA3 (0.59) KCNA3PTGS2CA12CA1CA9
SCHEMBL3921262 0.79 LMNA (0.62) KCNA3PTGS2CA12CA1CA9
SCHEMBL3913362 0.75 KCNA3 (0.42) KCNA3MAOBHPGDTSHRSMN1; SMN2
SCHEMBL3909724 0.74 KCNA3 (0.64) KCNA3PTGS2CA12CA1CA9
SCHEMBL21533758 0.74 KDM4E (0.45) KCNA3HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNA3 3807/4885PTGS2 22/4885CA12 3287/4885

“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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