Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2426535

Cc1cc(NC(=O)c2cccs2)ccc1N1CCC(N2CCCC2C)C1.O=C(O)C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.65
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.45
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2455569 0.94 HRH3 (0.72) HRH3KMT2AMEN1MAPTNPC1
Trifluoroacetic Acid SCHEMBL2421036 0.88 HRH3 (0.62) HRH3KMT2AMEN1MAPTNPC1
Trifluoroacetic Acid SCHEMBL1729811 0.85 HRH3 (0.90) HRH3NPC1RAB9AALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2421959 0.85 HRH3 (0.63) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL2425231 0.84 HRH3 (0.61) HRH3KMT2AMAPTALDH1A1KCNH2
Trifluoroacetic Acid SCHEMBL222825 0.84 HRH3 (0.65) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL2421907 0.84 HRH3 (0.59) HRH3MAPTSMN1; SMN2KCNH2
Trifluoroacetic Acid SCHEMBL2421792 0.84 HRH3 (0.66) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL2425266 0.84 HRH3 (0.72) HRH3MAPTKCNH2
Trifluoroacetic Acid SCHEMBL2419125 0.84 HRH3 (0.67) HRH3MAPTKCNH2

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
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
US-20100173897-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 (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-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885KMT2A 507/4885MEN1 3865/4885

“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.