Sugi Predict

Sugi Predict / Compounds / SCHEMBL493417

SCHEMBL493417

SCHEMBL493417

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CCC(C(c2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TIPARP Q7Z3E1 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL492865 0.98 CYP3A4 (0.38) MEN1KMT2ACYP3A4CYP2C19ALDH1A1
SCHEMBL493404 0.94 SMN1; SMN2 (0.38) MEN1KMT2ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL493532 0.93 SMN1; SMN2 (0.39) MEN1KMT2ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL493321 0.91 CACNA2D1 (0.41) MEN1KMT2ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL493458 0.90 THRB (0.36) KMT2ASMN1; SMN2POLBGALR3RAB9A
SCHEMBL493642 0.89 CACNA2D1 (0.41) MEN1KMT2ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL492921 0.88 THRB (0.35) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL493548 0.87 MEN1 (0.36) MEN1KMT2AALDH1A1ATMSMN1; SMN2
SCHEMBL493749 0.87 MEN1 (0.39) MEN1KMT2ACYP3A4CYP2C19ALDH1A1
SCHEMBL493699 0.86 ATM (0.37) MEN1KMT2ACYP3A4CYP2C19ALDH1A1

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 MEN1 4132/4885KMT2A 1749/4885CYP3A4 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.