SCHEMBL493071

SCHEMBL493071

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(c3cccs3)N(C)C)CC2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.40
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL492883 0.91 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL492833 0.91 KMT2A (0.39) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL492556 0.89 L3MBTL1 (0.42) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL492604 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL492898 0.89 FKBP1A (0.42) ALDH1A1EPHX2LMNAMEN1KMT2A
SCHEMBL493702 0.86 ALDH1A1 (0.41) ALDH1A1EPHX2LMNAMEN1KMT2A
SCHEMBL493035 0.86 FKBP1A (0.42) ALDH1A1EPHX2LMNAMEN1KMT2A
SCHEMBL492819 0.84 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL492697 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL493153 0.81 EPHX2 (0.43) ALDH1A1EPHX2LMNAMEN1KMT2A

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 ALDH1A1 1349/4885EPHX2 2567/4885LMNA 2485/4885

“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.