Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2994664

CC1CCCN1C1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.87
GAA P10253 1/20 0.52
CYP3A4 P08684 1/20 0.50
FPR1 P21462 1/20 0.48
FPR2 P25090 1/20 0.48
CNR1 P21554 1/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL1728073 0.93 HRH3 (1.00) HRH3GAACYP3A4KCNH2
Trifluoroacetic Acid SCHEMBL1729800 0.87 HRH3 (0.88) HRH3CYP3A4
Trifluoroacetic Acid SCHEMBL1728350 0.87 HRH3 (0.88) HRH3CYP3A4KCNH2
Trifluoroacetic Acid SCHEMBL1728317 0.86 HRH3 (0.86) HRH3CYP3A4KCNH2
Trifluoroacetic Acid SCHEMBL223740 0.85 HRH3 (0.65) HRH3CYP3A4KCNH2
Trifluoroacetic Acid SCHEMBL1727989 0.84 HRH3 (0.87) HRH3CYP3A4KCNH2
Trifluoroacetic Acid SCHEMBL222819 0.83 HRH3 (0.61) HRH3GAACYP3A4KCNH2
Trifluoroacetic Acid SCHEMBL222758 0.82 HRH3 (0.62) HRH3CYP3A4KCNH2
Cyclopropane SCHEMBL2428838 0.82 HRH3 (0.79) HRH3CYP3A4KCNH2
Trifluoroacetic Acid SCHEMBL1728097 0.81 HRH3 (0.87) HRH3CYP3A4KCNH2

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-8222290-B2 Substituted N-phenyl-bipyrrolidine ureas and therapeutic use thereof SANOFI (FR) 2012-07-17 US 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 1/4885GAA 4043/4885CYP3A4 737/4885

“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.