Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17894363

N=C(N)NCc1ccc(NC(=O)c2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ KLK1 P06870 2/20 0.50
▸ KLK5 Q9Y337 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NAMPT P43490 2/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ F2 P00734 4/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ EPAS1 Q99814 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TMPRSS6 Q8IU80 3/20 0.45

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
SCHEMBL19639325 0.92 MEN1 (0.57) NPC1RAB9AKDM4EMEN1KMT2A
Trifluoroacetic Acid SCHEMBL17894404 0.90 EPHX2 (0.53) RAB9AKLK1KLK5NAMPTEPHX2
Trifluoroacetic Acid SCHEMBL17894369 0.87 ITGB3 (0.55) NPC1RAB9AKMT2ANR1H4F2
SCHEMBL10644987 0.87 NAMPT (0.58) NPC1RAB9AKLK1KDM4EMEN1
Hydrochloric Acid SCHEMBL10606782 0.85 F2 (0.57) NPC1RAB9AKLK1MEN1KMT2A
SCHEMBL24892110 0.85 KMT2A (0.56) NPC1RAB9AKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL10616924 0.84 F2 (0.56) NPC1RAB9AKLK1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5172108 0.84 HDAC3 (0.52) MEN1KMT2AF2TMPRSS6
SCHEMBL30180871 0.81 KMT2A (0.63) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL17894494 0.81 HDAC1 (0.59) KDM4EMEN1KMT2ANAMPTEPHX2

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 NPC1 903/4885RAB9A 1751/4885KLK1 1221/4885

“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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