Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3919734

O=C(NCCCOc1cc(=O)oc2ccc(Cl)cc12)c1cccnc1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3918140 0.95 HPGD (0.52) HPGDSMN1; SMN2EPHX2POLBKMT2A
Trifluoroacetic Acid SCHEMBL3911182 0.90 RHOC (0.42) —
SCHEMBL3920133 0.84 TSHR (0.46) HPGDSMN1; SMN2KMT2AALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL3923215 0.81 LRRK2 (0.44) HPGDSMN1; SMN2KMT2AMEN1MAPT
Trifluoroacetic Acid SCHEMBL3910499 0.80 ALDH1A1 (0.51) SMN1; SMN2KMT2AMEN1GAAALDH1A1
Trifluoroacetic Acid SCHEMBL3923252 0.77 KCNA3 (0.46) ALDH1A1
Trifluoroacetic Acid SCHEMBL3925125 0.76 KCNA3 (0.45) ALDH1A1
Trifluoroacetic Acid SCHEMBL3909784 0.75 AR (0.47) KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3921377 0.74 KMO (0.44) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL3913226 0.71 SLC6A4 (0.51) ALDH1A1

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 HPGD 36/4885SMN1; SMN2 4820/4885EPHX2 610/4885

“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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