Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL445482

Cc1cc(C(=O)Nc2ccc([N+]3(N4CCC[C@@H]4C)CCCC3)cc2C)on1.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.38
KCNH2 Q12809 5/20 0.38
KMT2A Q03164 4/20 0.37
ALOX12 P18054 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL222647 0.94 KMT2A (0.41) HRH3KCNH2KMT2AALOX12NPC1
Trifluoroacetic Acid SCHEMBL223636 0.86 PKM (0.45) KMT2ANPC1RAB9AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL2417740 0.84 NTRK1 (0.38) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL220163 0.83 GPR6 (0.35) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL222702 0.82 HRH3 (0.35) HRH3KCNH2KMT2ARAB9AMEN1
Trifluoroacetic Acid SCHEMBL444415 0.82 KCNH2 (0.41) HRH3KCNH2KMT2ARAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL223098 0.81 KMT2A (0.41) HRH3KCNH2KMT2ARAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL222396 0.80 HRH3 (0.35) HRH3KCNH2RAB9AGLAHTT
Trifluoroacetic Acid SCHEMBL2421558 0.80 KDM4E (0.52) ALDH1A1HTTMAPT
Trifluoroacetic Acid SCHEMBL222744 0.79 RAB9A (0.41) HRH3KMT2ANPC1RAB9AMEN1

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-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-15 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 1508/4885KMT2A 507/4885

“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.