Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5633205

O/N=C(/Nc1ccc(F)c(Cl)c1)c1nonc1Cn1cnnc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
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
TSHR P16473 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FABP4 P15090 1/20 0.38
SLC2A1 P11166 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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 SCHEMBL5633218 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL5631506 0.93 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL5631515 0.93 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5631774 0.91 MEN1 (0.39) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5631784 0.91 MEN1 (0.39) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5632063 0.89 MEN1 (0.38) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5632073 0.89 MEN1 (0.38) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5633245 0.86 CYP1A2 (0.43) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5633258 0.86 CYP1A2 (0.43) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL5633210 0.86 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4

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 3175/4885NPC1 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.