Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2461325

Cc1csc(Nc2cc(OC3CCCNC3)ccn2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.41
ROCK2 O75116 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRM5 P41594 4/20 0.40
MAP3K12 Q12852 1/20 0.40
P2RX3 P56373 4/20 0.39
P2RX2 Q9UBL9 4/20 0.39
SYK P43405 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
TGFBR1 P36897 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SLC2A1 P11166 1/20 0.37
CHEK1 O14757 1/20 0.37

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
SCHEMBL192164 0.91 ROCK1 (0.48) ROCK1ROCK2KCNH2GRM5MAP3K12
Trifluoroacetic Acid SCHEMBL190215 0.89 SYK (0.47) ROCK1GRM5SYKTRPV4HRH4
SCHEMBL192005 0.79 TRPV4 (0.47) ROCK1GRM5MAP3K12SYKTRPV4
SCHEMBL190625 0.79 GRM5 (0.51) GRM5SYKTRPV4
SCHEMBL191004 0.76 GRM5 (0.43) GRM5SYKTRPV4
SCHEMBL190059 0.74 CHEK2 (0.46) GRM5MAP3K12P2RX3P2RX2SYK
SCHEMBL2658979 0.73 TRPV4 (0.40) GRM5MAP3K12SYKTRPV4SLC2A1
SCHEMBL190612 0.73 GPR119 (0.44) SYK
SCHEMBL191226 0.72 TRPV4 (0.43) GRM5TRPV4SLC2A1
SCHEMBL191227 0.72 TRPV4 (0.43) GRM5TRPV4SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 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 (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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 ROCK1 2746/4885ROCK2 3028/4885KCNH2 1689/4885

“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.