Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3333520

CC1(C)CCCN1C1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32
HRH4 Q9H3N8 3/20 0.32
HRH3 Q9Y5N1 2/20 0.32
CHRM3 P20309 2/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
PMP22 Q01453 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 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
Trifluoroacetic Acid SCHEMBL3332955 0.92 HRH4 (0.32) HRH4HRH3GABRA1GABRA5GABRB2
SCHEMBL3562771 0.76 GABRP (0.33) HRH3GABRPGABRDGABRA1TSHR
SCHEMBL3333522 0.74 CNR2 (0.30)
Ammonia Solution, Strong SCHEMBL28541804 0.72
Trifluoroacetic Acid SCHEMBL28252483 0.72 PKM (0.33) PKMHRH4HRH3
SCHEMBL1206672 0.72 L3MBTL3 (0.34) HRH3GABRPGABRDGABRA1TSHR
SCHEMBL28262653 0.72 PARP1 (0.35) HRH3
SCHEMBL1207372 0.72 L3MBTL3 (0.34) HRH3GABRPGABRDGABRA1TSHR
Trifluoroacetic Acid SCHEMBL29823097 0.72 HPGD (0.40) PKMHRH4HRH3GABRPGABRD
Hydrochloric Acid SCHEMBL28867277 0.71 PARP1 (0.34) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 US disclosed
EP-2142537-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-01-13 EP disclosed
WO-2008115973-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 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-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB PKM 397/4885HRH4 2792/4885HRH3 2838/4885

“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.