Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3473311

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1C(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.35
GAA P10253 1/20 0.32
KCNH2 Q12809 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
LCK P06239 1/20 0.32
JAK3 P52333 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
GPR6 P46095 1/20 0.31
BTK Q06187 2/20 0.31
PDK2 Q15119 1/20 0.31
SLC6A1 P30531 2/20 0.30
KIT P10721 1/20 0.30
FLT3 P36888 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
HDAC4 P56524 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
SCHEMBL2425933 0.92 GFER (0.39) GFERGAAKCNH2HRH3PDE4D
Trifluoroacetic Acid SCHEMBL222396 0.78 HRH3 (0.35) KCNH2HRH3
Trifluoroacetic Acid SCHEMBL222744 0.77 RAB9A (0.41) HRH3
Trifluoroacetic Acid SCHEMBL3655997 0.77 GFER (0.35) GFERGAAPDE4DPDE7AGPR6
Trifluoroacetic Acid SCHEMBL2421558 0.76 KDM4E (0.52)
Trifluoroacetic Acid SCHEMBL222702 0.75 HRH3 (0.35) KCNH2HRH3
Trifluoroacetic Acid SCHEMBL2417740 0.75 NTRK1 (0.38) KCNH2HRH3
Cyclohexane SCHEMBL2428515 0.75 HRH3 (0.40) KCNH2HRH3
SCHEMBL2421094 0.75 ALDH1A1 (0.33) GAAHRH3
SCHEMBL222743 0.75 ALDH1A1 (0.33) GAAHRH3

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-8618159-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2013-12-31 US disclosed
US-8252824-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-08-28 US disclosed
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 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-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 GFER 990/4885GAA 3600/4885KCNH2 1508/4885

“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.