Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL222819

CC1CCCN1C1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.61
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
RAD52 P43351 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GFER P55789 1/20 0.47
KCNH2 Q12809 3/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL222051 0.93 HRH3 (0.69) HRH3MEN1ALDH1A1KMT2AL3MBTL1
Trifluoroacetic Acid SCHEMBL222603 0.87 HRH3 (0.63) HRH3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL222745 0.87 HRH3 (0.63) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL220064 0.87 HRH3 (0.63) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL2421040 0.86 HRH3 (0.60) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL223740 0.85 HRH3 (0.65) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL2424024 0.84 HRH3 (0.66) HRH3GAASMN1; SMN2KCNH2
Trifluoroacetic Acid SCHEMBL1728317 0.84 HRH3 (0.86) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL2994664 0.83 HRH3 (0.87) HRH3GAAKCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL222758 0.82 HRH3 (0.62) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252824-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-08-28 US disclosed
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
US-20100173949-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 (2 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-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885MEN1 3865/4885ALDH1A1 911/4885
US-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885MEN1 3865/4885ALDH1A1 911/4885

“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.