Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL222603

Cc1cc(NC(=O)CC2CCCC2)ccc1N1CCC(N2CCCC2C)C1.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.63
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 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
SCHEMBL223896 0.94 HRH3 (0.70) HRH3MEN1RAB9AKMT2A
Trifluoroacetic Acid SCHEMBL2426842 0.87 HRH3 (0.60) HRH3
Trifluoroacetic Acid SCHEMBL222819 0.87 HRH3 (0.61) HRH3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL222825 0.86 HRH3 (0.65) HRH3
Trifluoroacetic Acid SCHEMBL2423128 0.85 HRH3 (0.68) HRH3RAB9A
Trifluoroacetic Acid SCHEMBL1730409 0.85 HRH3 (0.77) HRH3RAB9A
Trifluoroacetic Acid SCHEMBL1729800 0.85 HRH3 (0.88) HRH3RAB9A
Trifluoroacetic Acid SCHEMBL223454 0.84 HRH3 (0.62) HRH3
Trifluoroacetic Acid SCHEMBL1727893 0.83 HRH3 (0.88) HRH3
Trifluoroacetic Acid SCHEMBL2425231 0.83 HRH3 (0.61) HRH3KMT2A

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 3865/4885RAB9A 3245/4885
US-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885MEN1 3865/4885RAB9A 3245/4885

“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.