SCHEMBL493522

SCHEMBL493522

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(c3ccccc3)N(C)C)CC2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.41
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
RAB9A P51151 1/20 0.39
PTGIR P43119 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
FKBP4 Q02790 1/20 0.38
FKBP5 Q13451 1/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL493162 0.93 POLB (0.39) FKBP1AKMT2AHCRTR1HCRTR2FKBP4
SCHEMBL493363 0.93 NPC1 (0.40) FKBP1AHPGDKMT2ANCOA1NCOA3
SCHEMBL492503 0.93 FKBP1A (0.41) FKBP1AHPGDKMT2ANCOA1NCOA3
SCHEMBL492877 0.91 RAB9A (0.47) FKBP1ARAB9APTGIR
SCHEMBL492898 0.90 FKBP1A (0.42) FKBP1AHPGDKMT2ANCOA1NCOA3
SCHEMBL492667 0.89 PTGIR (0.39) FKBP1AKMT2ARAB9APTGIRHCRTR1
SCHEMBL492833 0.89 KMT2A (0.39) FKBP1AHPGDKMT2ANCOA1NCOA3
SCHEMBL492903 0.88 POLB (0.43) FKBP1ANCOA1NCOA3TDP1FKBP4
SCHEMBL493197 0.88 RAB9A (0.39) HPGDRAB9APTGIRGAAALDH1A1
SCHEMBL492825 0.87 HTR7 (0.41) KMT2ARAB9APTGIRHCRTR1HCRTR2

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 4 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 835/4885HPGD 213/4885KMT2A 1749/4885

“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.