SCHEMBL493023

SCHEMBL493023

COc1cc(C)c(S(=O)(=O)N2CCN(CCOCC(=O)NC3CCC(C(c4ccc(F)cc4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
AVPR1B P47901 3/20 0.37
AVPR1A P37288 6/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 1/20 0.36
GAA P10253 1/20 0.36
HTR4 Q13639 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL492678 0.93 AVPR1A (0.43) EPHX2LMNAAVPR1BAVPR1AALDH1A1
SCHEMBL492778 0.93 EPHX2 (0.39) EPHX2PKMSMN1; SMN2LMNAAVPR1B
SCHEMBL493469 0.91 EPHX2 (0.42) EPHX2PKMSMN1; SMN2LMNAAVPR1A
SCHEMBL492716 0.91 EPHX2 (0.41) EPHX2SMN1; SMN2LMNAAVPR1BAVPR1A
SCHEMBL493512 0.89 EPHX2 (0.40) EPHX2SMN1; SMN2LMNAAVPR1BAVPR1A
SCHEMBL493556 0.87 EPHX2 (0.42) EPHX2PKMSMN1; SMN2LMNAAVPR1A
SCHEMBL493338 0.85 EPHX2 (0.40) EPHX2PKMSMN1; SMN2LMNAAVPR1A
SCHEMBL494004 0.84 BDKRB1 (0.40) PKMSMN1; SMN2ALDH1A1GAA
SCHEMBL493330 0.84 EPHX2 (0.41) EPHX2PKMSMN1; SMN2LMNAAVPR1A
SCHEMBL493871 0.84 EPHX2 (0.47) EPHX2AVPR1BAVPR1AHTR4

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 EPHX2 2567/4885PKM 1161/4885SMN1; 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.