SCHEMBL493587

SCHEMBL493587

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CCC(C(CCc2ccccc2)N2CCCCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
FKBP1A P62942 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
EPHX2 P34913 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL493340 0.99 L3MBTL1 (0.36) ALDH1A1TDP1SMN1; SMN2MEN1POLB
SCHEMBL493127 0.94 ALDH1A1 (0.36) ALDH1A1TDP1SMN1; SMN2MEN1POLB
SCHEMBL493548 0.92 MEN1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL493595 0.89 FAAH (0.38) ALDH1A1FKBP1A
SCHEMBL493272 0.88 FAAH (0.38) ALDH1A1FKBP1A
SCHEMBL493798 0.87 FKBP1A (0.37) ALDH1A1TDP1SMN1; SMN2POLBGAA
SCHEMBL493196 0.86 ALDH1A1 (0.38) ALDH1A1TDP1SMN1; SMN2MEN1POLB
SCHEMBL493532 0.86 SMN1; SMN2 (0.39) ALDH1A1TDP1SMN1; SMN2MEN1POLB
SCHEMBL493290 0.85 SIGMAR1 (0.36) POLBFKBP1ARAB9ASIGMAR1
SCHEMBL493550 0.85 FAAH (0.36) ALDH1A1SMN1; SMN2POLBKMT2AFKBP1A

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 1349/4885TDP1 3893/4885SMN1; SMN2 1729/4885

“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.