Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1370109

CC[C@](C)(O)[C@H](C)N.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 5/20 0.36
DPP7 Q9UHL4 3/20 0.36
DPP4 P27487 3/20 0.36
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR2 O95136 4/20 0.35
S1PR5 Q9H228 3/20 0.35
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GRB2 P62993 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30

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
SCHEMBL3877809 0.82
SCHEMBL12146077 0.82
SCHEMBL1696846 0.82
SCHEMBL3877807 0.82
SCHEMBL12146097 0.82
SCHEMBL3877817 0.82
Trifluoroacetic Acid SCHEMBL1980571 0.78 SLC7A5 (0.42) DPP8DPP7DPP4ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL14737598 0.78 ALDH1A1 (0.37) DPP8DPP7DPP4ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL7601287 0.78 ALDH1A1 (0.37) DPP8DPP7DPP4ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL1369030 0.78 DPP8 (0.33) DPP8DPP7DPP4ALDH1A1TSHR

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-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 DPP8 3414/4885DPP7 2027/4885DPP4 2319/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 DPP8 3414/4885DPP7 2027/4885DPP4 2319/4885

“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.