Sugi Predict

Sugi Predict / Compounds / SCHEMBL493402

SCHEMBL493402

SCHEMBL493402

O=C(COCCN(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CCC(C(c2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CACNA2D1 P54289 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ CACNB1 Q02641 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GALR3 O60755 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL493184 0.93 POLB (0.36) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL492976 0.93 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL493013 0.91 MEN1 (0.37) KMT2AMEN1CYP3A4CYP2C19L3MBTL1
SCHEMBL493151 0.85 TACR1 (0.37) KMT2AMEN1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL493326 0.85 MEN1 (0.38) KMT2AMEN1CYP3A4CYP2C19ALDH1A1
SCHEMBL492775 0.85 ALDH1A1 (0.37) KMT2AMEN1CYP3A4ALDH1A1L3MBTL1
SCHEMBL492975 0.84 CACNA2D1 (0.37) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL492771 0.84 MEN1 (0.38) KMT2AMEN1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL492596 0.84 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL493117 0.83 CACNA2D1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1C

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 KMT2A 1749/4885MEN1 4132/4885CYP3A4 465/4885

“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.