SCHEMBL493295

SCHEMBL493295

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(CCc3ccccc3)N(C)C)CC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.42
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.40
CXCR3 P49682 1/20 0.39
CTSD P07339 1/20 0.38

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
SCHEMBL493549 0.90 CXCR3 (0.49) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL493602 0.89 MAPT (0.43) TP53MAPTKMT2AALDH1A1CXCR3
SCHEMBL492804 0.88 HTT (0.41) MAPTKMT2AGAAALDH1A1CXCR3
SCHEMBL492852 0.88 CXCR3 (0.46) KMT2AGAAALDH1A1POLBCXCR3
SCHEMBL492551 0.86 USP2 (0.43) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL492872 0.86 AVPR1B (0.40)
SCHEMBL493643 0.85 NPSR1 (0.42) SMN1; SMN2KMT2AGAAALDH1A1CXCR3
SCHEMBL494402 0.85 BDKRB1 (0.48)
SCHEMBL493075 0.85 CXCR3 (0.51) GAAALDH1A1CXCR3
SCHEMBL494025 0.84 CXCR3 (0.36) ALDH1A1CXCR3

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 PDE4D 2021/4885PDE4A 1313/4885PDE4B 1569/4885

“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.