Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5633201

O=C(O)C(F)(F)F.ON=C(Nc1ccc(F)c(Cl)c1)c1nonc1CNCc1ccccc1Cl

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
SLC2A1 P11166 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 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
Trifluoroacetic Acid SCHEMBL5633194 1.00 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5630775 0.94 CYP1A2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL5630782 0.94 CYP1A2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL5632007 0.89 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL5631999 0.89 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL5630880 0.88 MEN1 (0.40) SMN1; SMN2NPC1RAB9AL3MBTL1SLC2A1
Trifluoroacetic Acid SCHEMBL5630919 0.88 MEN1 (0.40) SMN1; SMN2NPC1RAB9AL3MBTL1SLC2A1
Trifluoroacetic Acid SCHEMBL15093519 0.87 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL15093525 0.87 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5633195 0.87 NPC1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1

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 SMN1; SMN2 3175/4885NPC1 3320/4885RAB9A 3593/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT SMN1; SMN2 3175/4885NPC1 3320/4885RAB9A 3593/4885

“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.