Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL222702

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)c1ccoc1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.35
KCNH2 Q12809 6/20 0.35
CCR8 P51685 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSPB1 P04792 1/20 0.33
MAPK14 Q16539 1/20 0.33
BRD4 O60885 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TMIGD3 P0DMS9 1/20 0.32
ADORA1 P30542 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32

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
SCHEMBL223823 0.94 HRH3 (0.38) HRH3KCNH2CCR8ALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL223636 0.85 PKM (0.45) ALDH1A1MEN1KMT2AMAPTRAB9A
Trifluoroacetic Acid SCHEMBL2418838 0.85 CHRNA7 (0.38) HRH3KCNH2BRD4MAPTRAB9A
Trifluoroacetic Acid SCHEMBL220163 0.83 GPR6 (0.35) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL445482 0.82 HRH3 (0.38) HRH3KCNH2ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL444415 0.82 KCNH2 (0.41) HRH3KCNH2CCR8ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL2420295 0.82 MAPK11 (0.45) ALDH1A1MAPK14BRD4MAPT
Trifluoroacetic Acid SCHEMBL223098 0.81 KMT2A (0.41) HRH3KCNH2CCR8ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL2423340 0.81 BRAF (0.41) ALDH1A1MAPK14BRD4MAPTRAB9A
Trifluoroacetic Acid SCHEMBL2417740 0.81 NTRK1 (0.38) HRH3KCNH2

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-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-15 US disclosed
US-8088808-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-01-03 US disclosed
EP-2212283-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP 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-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885KCNH2 1508/4885CCR8 1393/4885

“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.