Sugi Predict

Sugi Predict / Compounds / SCHEMBL493330

SCHEMBL493330

SCHEMBL493330

COc1cc(C)c(S(=O)(=O)N2CCC(CCOCC(=O)NC3CCC(C(c4cccc(F)c4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PKM P14618 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ AVPR1A P37288 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ BDKRB1 P46663 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL493469 0.93 EPHX2 (0.42) EPHX2MEN1KMT2APKMHTR6
SCHEMBL494077 0.91 EPHX2 (0.42) EPHX2MEN1KMT2APKMHTR6
SCHEMBL492778 0.91 EPHX2 (0.39) EPHX2MEN1KMT2APKMTSHR
SCHEMBL493082 0.91 EPHX2 (0.42) EPHX2MEN1KMT2AHTR6BDKRB1
SCHEMBL493005 0.90 EPHX2 (0.41) EPHX2MEN1KMT2APKMTSHR
SCHEMBL492666 0.87 EPHX2 (0.38) EPHX2MEN1KMT2APKMTSHR
SCHEMBL492979 0.86 EPHX2 (0.41) EPHX2MEN1KMT2APKMHTR6
SCHEMBL493118 0.86 BDKRB1 (0.39) PKMSMN1; SMN2ALDH1A1GAAOPRL1
SCHEMBL493838 0.85 EPHX2 (0.39) EPHX2MEN1KMT2AHTR6AVPR1A
SCHEMBL492777 0.85 HTR6 (0.36) EPHX2MEN1KMT2APKMTSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 — — US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 — — EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 — — US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 — — WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 — — US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 — — EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 — — US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 — — 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD EPHX2 2567/4885MEN1 4132/4885KMT2A 1749/4885

“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.