Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2425447

COc1cccc(C(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)cc2C(F)(F)F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.52
KCNH2 Q12809 6/20 0.52
CYP3A4 P08684 1/20 0.45
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
QSOX1 O00391 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL2425147 0.97 HRH3 (0.55) HRH3KCNH2CYP3A4NPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL2423089 0.92 HRH3 (0.52) HRH3KCNH2CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL2420644 0.90 HRH3 (0.58) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL2426736 0.88 HRH3 (0.62) HRH3KCNH2NPC1ALDH1A1RAB9A
SCHEMBL2420137 0.88 HRH3 (0.55) HRH3KCNH2CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL2422144 0.88 HRH3 (0.52) HRH3KCNH2CYP3A4
SCHEMBL2424053 0.86 HRH3 (0.61) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL2421610 0.85 HRH3 (0.53) HRH3KCNH2CYP3A4NPC1RAB9A
Trifluoroacetic Acid SCHEMBL2421205 0.85 HRH3 (0.67) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL2420737 0.85 HRH3 (0.51) HRH3KCNH2CYP3A4

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
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
US-20100173897-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-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885KCNH2 1508/4885CYP3A4 672/4885

“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.