SCHEMBL493162

SCHEMBL493162

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(c3ccc(Cl)cc3)N(C)C)CC2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
FKBP1A P62942 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL493137 0.93 PAX8 (0.39) POLBKMT2APSEN1PSEN2APH1B
SCHEMBL493363 0.93 NPC1 (0.40) KMT2AALDH1A1HCRTR1HCRTR2LMNA
SCHEMBL493522 0.93 FKBP1A (0.41) KMT2AALDH1A1HCRTR1HCRTR2GAA
SCHEMBL492781 0.91 PSEN1 (0.42) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL492481 0.89 RAB9A (0.44) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL492503 0.89 FKBP1A (0.41) KMT2AALDH1A1HCRTR1HCRTR2FKBP1A
SCHEMBL493088 0.88 OXTR (0.37) ALDH1A1HCRTR1HCRTR2GAALMNA
SCHEMBL492833 0.86 KMT2A (0.39) KMT2AALDH1A1HCRTR1HCRTR2LMNA
SCHEMBL492624 0.86 NPC1 (0.44) KMT2AALDH1A1HCRTR1HCRTR2LMNA
SCHEMBL492536 0.85 HTR7 (0.38) POLBKMT2AHCRTR1HCRTR2GAA

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 POLB 2120/4885KMT2A 1749/4885PSEN1 3663/4885

“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.