Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3910245

Cc1c(OCCCN)c2cc(Cl)ccc2oc1=O.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.42
▸ MAOB P27338 2/20 0.42
▸ HTR2C P28335 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ NQO1 P15559 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ MGAM O43451 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
SCHEMBL3910264 0.90 MAOB (0.43) MCL1MAOBALDH1A1NQO1KCNH2
Trifluoroacetic Acid SCHEMBL3913356 0.80 HTR2C (0.45) MCL1MAOBHTR2CALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL3923252 0.77 KCNA3 (0.46) MCL1MAOBHTR2CALDH1A1TTR
Trifluoroacetic Acid SCHEMBL3925125 0.76 KCNA3 (0.45) MCL1MAOBHTR2CALDH1A1TTR
Trifluoroacetic Acid SCHEMBL5728404 0.74 HTR2C (0.44) MCL1MAOBHTR2CALDH1A1KDM4E
SCHEMBL5728112 0.73 ACHE (0.47) MAOBMAOAACHE
Trifluoroacetic Acid SCHEMBL3911643 0.71 KCNA3 (0.44) HTR2CALDH1A1KMT2AKDM4EHPGD
Trifluoroacetic Acid SCHEMBL3910499 0.69 ALDH1A1 (0.51) MCL1HTR2CALDH1A1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL3913747 0.68 KCNA3 (0.44) NQO1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL3913777 0.67 KDM4E (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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 MCL1 2649/4885MAOB 280/4885HTR2C 2770/4885

“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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