Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17258792

CCCCN(c1ccccc1CN)S(C)(=O)=O.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
JAK3 P52333 3/20 0.40
ESR1 P03372 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PER2 O15055 1/20 0.35

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 SCHEMBL17258859 0.93 ESR1 (0.41) JAK2TYK2JAK3ESR1LMNA
SCHEMBL28840926 0.77 TP53 (0.48) JAK2JAK1TYK2JAK3ESR1
SCHEMBL1291494 0.74 ALDH1A1 (0.44) JAK2JAK1TYK2JAK3ESR1
Hydrochloric Acid SCHEMBL21048863 0.73 ALDH1A1 (0.43) JAK2JAK1TYK2JAK3ESR1
SCHEMBL21048878 0.73 JAK2 (0.44) JAK2JAK1TYK2JAK3ESR1
SCHEMBL17258776 0.71 JAK2 (0.42) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL4598305 0.69 POLQ (0.39) ESR1ALDH1A1
SCHEMBL1290793 0.69 ESR1 (0.52) ESR1NR1I2L3MBTL1ALOX5ALDH1A1
SCHEMBL17258939 0.69 TP53 (0.50) JAK2JAK1TYK2JAK3ESR1
Hydrochloric Acid SCHEMBL17258908 0.68 ALDH1A1 (0.38) LMNAL3MBTL1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed
US-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2018-07-17 US disclosed
EP-3143021-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES Pfizer Inc (US) 2017-03-22 EP disclosed
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2017-03-16 US disclosed
US-9518052-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2016-12-13 US disclosed
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. 2015-11-19 US disclosed
WO-2015173683-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2015-11-19 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 (3 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-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines CBR3, HRH4, REN JAK2 78/4885JAK1 668/4885TYK2 858/4885
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 JAK2 501/4885JAK1 1678/4885TYK2 1438/4885
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 JAK2 501/4885JAK1 1678/4885TYK2 1438/4885

“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.