Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5630684

O/N=C(/Nc1ccc(F)c(Cl)c1)c1nonc1CNCCN1CCOCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.46
EPHX2 P34913 5/20 0.44
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ERBB2 P04626 1/20 0.40
ERBB4 Q15303 1/20 0.40
BRAF P15056 2/20 0.39
LMNA P02545 1/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PIK3CD O00329 1/20 0.39
CYP3A4 P08684 1/20 0.39
AKT1 P31749 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
MAPK14 Q16539 1/20 0.39
APAF1 O14727 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL5630691 1.00 EGFR (0.46) EGFREPHX2CNR1SMN1; SMN2ERBB2
SCHEMBL5631270 0.94 EGFR (0.47) EGFREPHX2CNR1SMN1; SMN2ERBB2
SCHEMBL5631259 0.94 EGFR (0.47) EGFREPHX2CNR1SMN1; SMN2ERBB2
Trifluoroacetic Acid SCHEMBL4981339 0.90 EGFR (0.43) EGFREPHX2ERBB2ERBB4BRAF
Trifluoroacetic Acid SCHEMBL4981359 0.90 EGFR (0.43) EGFREPHX2ERBB2ERBB4BRAF
SCHEMBL5631304 0.89 EGFR (0.46) EGFREPHX2ERBB2BRAFLMNA
SCHEMBL5631314 0.89 EGFR (0.46) EGFREPHX2ERBB2BRAFLMNA
Trifluoroacetic Acid SCHEMBL5632623 0.88 LMNA (0.43) EGFRERBB2ERBB4LMNAALDH1A1
Trifluoroacetic Acid SCHEMBL5632636 0.88 LMNA (0.43) EGFRERBB2ERBB4LMNAALDH1A1
SCHEMBL5630729 0.87 HPGD (0.44) EGFREPHX2CNR1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US disclosed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US disclosed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US disclosed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 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 (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-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT EGFR 1553/4885EPHX2 266/4885CNR1 257/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT EGFR 1553/4885EPHX2 266/4885CNR1 257/4885

“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.