Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL220163

Cc1nc(C(=O)Nc2ccc([N+]3(N4CCC[C@@H]4C)CCCC3)cc2C)co1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.35
HRH3 Q9Y5N1 7/20 0.34
KCNH2 Q12809 5/20 0.34
IRAK4 Q9NWZ3 4/20 0.34
POLB P06746 1/20 0.32
NLRP3 Q96P20 2/20 0.32
RORC P51449 2/20 0.32
RORB Q92753 1/20 0.32
BACE1 P56817 3/20 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
SCHEMBL222179 0.94 IRAK4 (0.37) GPR6HRH3KCNH2IRAK4POLB
Trifluoroacetic Acid SCHEMBL2417740 0.87 NTRK1 (0.38) HRH3KCNH2IRAK4
Trifluoroacetic Acid SCHEMBL222702 0.83 HRH3 (0.35) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL223636 0.83 PKM (0.45) POLB
Trifluoroacetic Acid SCHEMBL445482 0.83 HRH3 (0.38) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL2418838 0.82 CHRNA7 (0.38) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL444415 0.81 KCNH2 (0.41) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL223098 0.80 KMT2A (0.41) HRH3KCNH2
SCHEMBL2422227 0.80 GRM5 (0.40) HRH3KCNH2IRAK4
SCHEMBL2429279 0.80 HRH3 (0.33) HRH3KCNH2POLB

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 GPR6 187/4885HRH3 1/4885KCNH2 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.