Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL222731

CC1CCCN1C1CCN(c2ccc(NC(=O)C3C[C@@H]4CC[C@H]3C4)cc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.57
KCNH2 Q12809 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL223210 0.94 HRH3 (0.64) HRH3KCNH2L3MBTL1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL222699 0.88 HRH3 (0.61) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL221776 0.88 HRH3 (0.57) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL223740 0.85 HRH3 (0.65) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL222758 0.83 HRH3 (0.62) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL222651 0.82 HRH3 (0.67) HRH3KCNH2ALDH1A1CYP3A4
Trifluoroacetic Acid SCHEMBL1728317 0.81 HRH3 (0.86) HRH3KCNH2CYP3A4
SCHEMBL419180 0.81 HRH3 (0.68) HRH3KCNH2NPC1RAB9ACYP3A4
SCHEMBL2741072 0.81 HRH3 (0.68) HRH3KCNH2NPC1RAB9ACYP3A4
SCHEMBL222707 0.81 HRH3 (0.68) HRH3KCNH2NPC1RAB9ACYP3A4

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 1508/4885L3MBTL1 2586/4885

“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.