Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5631985

CNS(=O)(=O)NCc1nonc1C(=NO)Nc1ccc(F)c(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 2/20 0.37
IDO1 P14902 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RORC P51449 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL4980084 0.95 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL5630908 0.89 IDO1 (0.44) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL5630916 0.89 IDO1 (0.44) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5631977 0.87 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5631914 0.86 MEN1 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5631906 0.86 MEN1 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14462457 0.85 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5631816 0.85 IDO1 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5631811 0.85 IDO1 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4984645 0.85 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9

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 SMN1; SMN2 3175/4885CYP1A2 202/4885CYP3A4 476/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT SMN1; SMN2 3175/4885CYP1A2 202/4885CYP3A4 476/4885

“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.