Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2140604

Cc1ccc(C(=O)N2CC(F)(F)OC3(CCNCC3)C2)s1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 1/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ DAO P14920 1/20 0.33
▸ GABRD O14764 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ GABRA4 P48169 2/20 0.32
▸ PKM P14618 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10241883 0.94 HPGD (0.39) SLC6A1EPHX2HTR1AALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL2141619 0.84 CHRM2 (0.38) EPHX2HTR1AALDH1A1HPGD
SCHEMBL2141007 0.82 HTR1A (0.42) SLC6A1EPHX2HTR1AALDH1A1HPGD
SCHEMBL2140246 0.77 HDAC1 (0.40) SLC6A1HTR1AALDH1A1HPGDKMT2A
SCHEMBL2828088 0.75 HPGD (0.43) HTR1AALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL2142808 0.75 CHRM2 (0.46) GAAKMT2A
Trifluoroacetic Acid SCHEMBL2141461 0.71 EPHX2 (0.39) EPHX2HPGDPKM
SCHEMBL2142861 0.69 CHRM2 (0.40) SLC6A1EPHX2HTR1AALDH1A1KMT2A
SCHEMBL16284226 0.68 HPGD (0.57) HTR1AALDH1A1HPGDDAOPOLB
SCHEMBL10241980 0.67 CHRM2 (0.48) GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 — — US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 — — US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 — — EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 — — US disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 — — EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 — — WO 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 (2 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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 SLC6A1 347/4885EPHX2 1056/4885HTR1A 1893/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 SLC6A1 386/4885EPHX2 1481/4885HTR1A 2137/4885

“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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