SCHEMBL492686

SCHEMBL492686

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NC2CCC(C(c3cccc(F)c3)N(C)C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
OPRL1 P41146 1/20 0.38
MGAT3 Q09327 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
BDKRB1 P46663 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL492973 0.92 L3MBTL1 (0.42) OPRL1SMN1; SMN2GAAL3MBTL1LMNA
SCHEMBL493055 0.92 OPRL1 (0.39) ALDH1A1OPRL1SMN1; SMN2LMNAKMT2A
SCHEMBL492490 0.91 MAPT (0.39) ALDH1A1OPRL1SMN1; SMN2GAAL3MBTL1
SCHEMBL492711 0.91 KMT2A (0.43) ALDH1A1GAAL3MBTL1LMNAKMT2A
SCHEMBL492817 0.90 CAMK2A (0.40) ALDH1A1LMNAKMT2APOLBUSP2
SCHEMBL492885 0.89 ALDH1A1 (0.40) ALDH1A1MGAT3SMN1; SMN2GAAL3MBTL1
SCHEMBL493262 0.89 BDKRB1 (0.49) BDKRB1
SCHEMBL493303 0.88 ALDH1A1 (0.39) ALDH1A1MGAT3SMN1; SMN2GAAL3MBTL1
SCHEMBL492917 0.86 LMNA (0.47) OPRL1SMN1; SMN2GAALMNAPOLB
SCHEMBL492822 0.86 LMNA (0.40) ALDH1A1SMN1; SMN2LMNAKMT2APOLB

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 ALDH1A1 1349/4885OPRL1 4/4885MGAT3 361/4885

“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.