Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5629977

NS(=O)(=O)c1ccc(CCNCc2nonc2C(=NO)Nc2ccc(F)c(Cl)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA1 P00915 12/20 0.46
CA9 Q16790 7/20 0.46
CA7 P43166 4/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 4/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA4 P22748 2/20 0.41
SOS1 Q07889 1/20 0.39
IDO1 P14902 1/20 0.39
P2RY1 P47900 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 SCHEMBL5629964 1.00 CA2 (0.47) CA2MEN1KMT2ACA1CA9
SCHEMBL5633126 0.95 MEN1 (0.50) CA2MEN1KMT2ACA1CA9
SCHEMBL5633130 0.95 MEN1 (0.50) CA2MEN1KMT2ACA1CA9
Trifluoroacetic Acid SCHEMBL5631301 0.93 MEN1 (0.50) CA2MEN1KMT2ACA1CA9
Trifluoroacetic Acid SCHEMBL5631311 0.93 MEN1 (0.50) CA2MEN1KMT2ACA1CA9
Trifluoroacetic Acid SCHEMBL5632007 0.90 SMN1; SMN2 (0.45) MEN1KMT2ALMNAMAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5631999 0.90 SMN1; SMN2 (0.45) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5629968 0.89 CA2 (0.46) CA2MEN1KMT2ACA1CA9
Trifluoroacetic Acid SCHEMBL5630322 0.88 MEN1 (0.44) MEN1KMT2ALMNAMAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5630327 0.88 MEN1 (0.44) MEN1KMT2ALMNAMAPTSMN1; SMN2

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
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-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 CA2 2163/4885MEN1 1163/4885KMT2A 545/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT CA2 2163/4885MEN1 1163/4885KMT2A 545/4885

“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.