Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17894404

N=C(N)Nc1ccc(CNC(=O)c2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.53
▸ NR1H4 Q96RI1 2/20 0.53
▸ HDAC1 Q13547 3/20 0.51
▸ HDAC6 Q9UBN7 3/20 0.51
▸ HDAC3 O15379 2/20 0.50
▸ NAMPT P43490 5/20 0.49
▸ TPSAB1 Q15661 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ KLK1 P06870 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ERCC1 P07992 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46

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
SCHEMBL17894494 0.92 HDAC1 (0.59) EPHX2NR1H4HDAC1HDAC6HDAC3
Trifluoroacetic Acid SCHEMBL17894363 0.90 NPC1 (0.52) EPHX2NR1H4NAMPTKLK1KLK5
SCHEMBL19639325 0.81 MEN1 (0.57) NR1H4HDAC1HDAC6NAMPTMAPT
SCHEMBL7303517 0.81 NR1H4 (0.61) EPHX2NR1H4HDAC1HDAC6TPSAB1
SCHEMBL7294446 0.80 EPHX2 (0.52) EPHX2NR1H4HDAC1HDAC6TPSAB1
Hydrochloric Acid SCHEMBL9264373 0.80 NR1H4 (0.60) EPHX2NR1H4HDAC1HDAC6TPSAB1
Phenylguanidine SCHEMBL7425328 0.79 CHIT1 (0.49) EPHX2HDAC1HDAC6HDAC3KLK1
SCHEMBL8041030 0.79 USP30 (0.48) HDAC1HDAC6HDAC3
SCHEMBL6681065 0.79 HDAC6 (0.59) EPHX2NR1H4HDAC1HDAC6HDAC3
Trifluoroacetic Acid SCHEMBL7417053 0.78 ITGB3 (0.53) KLK1KLK5

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
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 — — US disclosed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 — — EP disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 — — 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 (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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB EPHX2 1023/4885NR1H4 1013/4885HDAC1 1517/4885

“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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