Sugi Predict

Sugi Predict / Compounds / SCHEMBL3783209

SCHEMBL3783209

SCHEMBL3783209

O=C(C=Cc1ccc(C(F)(F)F)nc1CCc1ccccc1)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NAMPT P43490 6/20 0.42
▸ MMP1 P03956 2/20 0.42
▸ MMP2 P08253 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ PPARA Q07869 6/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL3783207 1.00 MEN1 (0.45) MEN1KMT2ANAMPTMMP1MMP2
SCHEMBL3779848 0.91 TRPV1 (0.47) MEN1KMT2ANAMPTMMP1MMP2
SCHEMBL13018267 0.91 TRPV1 (0.47) MEN1KMT2ANAMPTMMP1MMP2
SCHEMBL3779852 0.91 TRPV1 (0.47) MEN1KMT2ANAMPTMMP1MMP2
SCHEMBL3778917 0.90 MEN1 (0.43) MEN1KMT2ANAMPTMMP1MMP2
SCHEMBL13018269 0.90 MEN1 (0.43) MEN1KMT2ANAMPTMMP1MMP2
SCHEMBL3778916 0.90 MEN1 (0.43) MEN1KMT2ANAMPTMMP1MMP2
SCHEMBL15959266 0.83 MMP1 (0.41) MEN1KMT2ANAMPTMMP1MMP2
SCHEMBL3778617 0.81 TRPV1 (0.44) MEN1KMT2AHTTSMN1; SMN2TRPV1
SCHEMBL3778619 0.81 TRPV1 (0.44) MEN1KMT2AHTTSMN1; SMN2TRPV1

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
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 — — EP disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 — — US disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 — — EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 — — US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 — — WO 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 MEN1 1024/4885KMT2A 4527/4885NAMPT 1265/4885

“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.