Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5632113

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.ON=C(Nc1ccc(F)c(Cl)c1)c1nonc1CNCCCn1ccnc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
CACNA1B Q00975 1/20 0.39
GSK3B P49841 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
MAOB P27338 1/20 0.38
QPCT Q16769 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 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 SCHEMBL5632105 1.00 ALOX15 (0.47) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
SCHEMBL4900358 0.94 ALOX15 (0.47) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
SCHEMBL4727606 0.94 ALOX15 (0.47) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
Trifluoroacetic Acid SCHEMBL5630157 0.89 ALOX15 (0.40) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
Trifluoroacetic Acid SCHEMBL5630146 0.89 ALOX15 (0.40) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
Trifluoroacetic Acid SCHEMBL5631774 0.87 MEN1 (0.39) ALOX15HSD17B10L3MBTL1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5631784 0.87 MEN1 (0.39) ALOX15HSD17B10L3MBTL1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5630880 0.84 MEN1 (0.40) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL5630919 0.84 MEN1 (0.40) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL5632063 0.84 MEN1 (0.38) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9

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 ALOX15 429/4885HSD17B10 812/4885ALDH1A1 1216/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT ALOX15 429/4885HSD17B10 812/4885ALDH1A1 1216/4885

“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.