SCHEMBL493702

SCHEMBL493702

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
FKBP1A P62942 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 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
SCHEMBL492898 0.93 FKBP1A (0.42) ALDH1A1EPHX2LMNAGAAKMT2A
SCHEMBL493035 0.92 FKBP1A (0.42) ALDH1A1EPHX2LMNAGAATSHR
SCHEMBL492818 0.91 NPC1 (0.49) ALDH1A1LMNATSHRNPSR1KMT2A
SCHEMBL493363 0.90 NPC1 (0.40) ALDH1A1LMNATSHRNPSR1KMT2A
SCHEMBL493222 0.89 SMN1; SMN2 (0.44) ALDH1A1LMNAGAATSHRKMT2A
SCHEMBL492624 0.89 NPC1 (0.44) ALDH1A1LMNATSHRNPSR1KMT2A
SCHEMBL493112 0.88 NPC1 (0.46) LMNATSHRNPSR1KMT2APOLB
SCHEMBL493505 0.88 LMNA (0.42) ALDH1A1LMNAGAATSHRNPSR1
SCHEMBL492926 0.87 HTR7 (0.41) LMNAGAATSHRKMT2APOLB
SCHEMBL493071 0.86 ALDH1A1 (0.40) ALDH1A1EPHX2LMNAGAAKMT2A

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.