Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1075601

Nc1cccc(NCCCc2cccc([N+](=O)[O-])c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HPGD P15428 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 2/20 0.48
TRPA1 O75762 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CDK2 P24941 1/20 0.47
MAPK1 P28482 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45

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
SCHEMBL13623198 0.91 ALDH1A1 (0.53) ALDH1A1HPGDNPC1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1074988 0.88 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTCYP2C9
Trifluoroacetic Acid SCHEMBL1026824 0.82 ALDH1A1 (0.67) ALDH1A1HPGDNPC1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1076174 0.79 CTSC (0.51) ALDH1A1HPGDNPC1MEN1KMT2A
SCHEMBL13623067 0.76 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTTSHR
Hydrochloric Acid SCHEMBL1075280 0.75 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL6968193 0.74 ALDH1A1 (0.61) ALDH1A1HPGDNPC1MEN1KMT2A
SCHEMBL13623020 0.72 ALDH1A1 (0.74) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL2081781 0.72 SMN1; SMN2 (0.57) ALDH1A1HPGDNPC1MEN1KMT2A
SCHEMBL14950721 0.71 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPT

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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 (1 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALDH1A1 2511/4885HPGD 4536/4885NPC1 2849/4885

“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.