Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1729800

Cc1cc(NC(=O)NC2CCCCC2)ccc1N1CCC(N2CCCC2C)C1.O=C(O)C(F)(F)F

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.88
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 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
SCHEMBL1728352 0.94 HRH3 (1.00) HRH3NPC1RAB9ACYP3A4TSHR
Trifluoroacetic Acid SCHEMBL1730409 0.87 HRH3 (0.77) HRH3NPC1RAB9A
Trifluoroacetic Acid SCHEMBL2994664 0.87 HRH3 (0.87) HRH3CYP3A4
Trifluoroacetic Acid SCHEMBL1729710 0.86 HRH3 (0.88) HRH3CYP3A4
Trifluoroacetic Acid SCHEMBL222825 0.86 HRH3 (0.65) HRH3CYP3A4
Trifluoroacetic Acid SCHEMBL222603 0.85 HRH3 (0.63) HRH3RAB9A
Trifluoroacetic Acid SCHEMBL223454 0.84 HRH3 (0.62) HRH3
Trifluoroacetic Acid SCHEMBL1730706 0.83 HRH3 (0.88) HRH3CYP3A4
Trifluoroacetic Acid SCHEMBL1727893 0.83 HRH3 (0.88) HRH3
Trifluoroacetic Acid SCHEMBL2425231 0.83 HRH3 (0.61) HRH3

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-8222290-B2 Substituted N-phenyl-bipyrrolidine ureas and therapeutic use thereof SANOFI (FR) 2012-07-17 US disclosed
EP-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 EP disclosed
US-20100173908-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS 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-20100173908-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF HRH3, HRH4, UTS2R HRH3 1/4885NPC1 1261/4885RAB9A 2900/4885

“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.