SCHEMBL492898

SCHEMBL492898

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(c3ccccc3)N(C)C)CC2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.42
ALDH1A1 P00352 3/20 0.42
EPHX2 P34913 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FKBP4 Q02790 2/20 0.40
FKBP5 Q13451 2/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
HPGD P15428 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
SCHEMBL493702 0.93 ALDH1A1 (0.41) FKBP1AALDH1A1EPHX2GAALMNA
SCHEMBL493035 0.92 FKBP1A (0.42) FKBP1AALDH1A1EPHX2GAALMNA
SCHEMBL493720 0.90 RAB9A (0.46) FKBP1AALDH1A1MEN1POLBKMT2A
SCHEMBL493522 0.90 FKBP1A (0.41) FKBP1AALDH1A1GAAKMT2AFKBP4
SCHEMBL493071 0.89 ALDH1A1 (0.40) ALDH1A1EPHX2GAALMNAMEN1
SCHEMBL493186 0.88 PSEN1 (0.45) FKBP1AALDH1A1GAAMEN1POLB
SCHEMBL493738 0.88 RAB9A (0.43) GAAMEN1POLBKMT2AHCRTR1
SCHEMBL492880 0.87 KMT2A (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL492696 0.84 NPC1 (0.44) ALDH1A1LMNAPOLBKMT2AHCRTR1
SCHEMBL492515 0.83 RAB9A (0.49) FKBP1AALDH1A1EPHX2MEN1POLB

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 FKBP1A 835/4885ALDH1A1 1349/4885EPHX2 2567/4885

“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.