Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5630908

NS(=O)(=O)NCc1nonc1/C(=N/O)Nc1ccc(F)c(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
FABP4 P15090 1/20 0.36
IDH2 P48735 1/20 0.36
SLC2A1 P11166 1/20 0.36

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 SCHEMBL5630916 1.00 IDO1 (0.44) IDO1CA2CYP1A2CYP3A4CYP2D6
SCHEMBL5632217 0.94 IDO1 (0.48) IDO1CA2CYP1A2CYP3A4CYP2D6
SCHEMBL5632223 0.94 IDO1 (0.48) IDO1CA2CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL5631985 0.89 SMN1; SMN2 (0.39) IDO1CYP1A2CYP3A4CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL5630463 0.87 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5630479 0.87 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5633245 0.87 CYP1A2 (0.43) IDO1CYP1A2CYP3A4CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL5633258 0.87 CYP1A2 (0.43) IDO1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5630911 0.86 IDO1 (0.43) IDO1CA2CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL5631796 0.86 IDO1 (0.38) IDO1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP disclosed
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 IDO1 1/4885CA2 2163/4885CYP1A2 202/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT IDO1 1/4885CA2 2163/4885CYP1A2 202/4885

“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.