SCHEMBL492503

SCHEMBL492503

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(c3cccc(F)c3)N(C)C)CC2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.41
FKBP5 Q13451 4/20 0.41
FKBP4 Q02790 3/20 0.41
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL493198 0.94 FKBP1A (0.41) FKBP1AFKBP5FKBP4KMT2AHCRTR1
SCHEMBL493363 0.93 NPC1 (0.40) FKBP1AKMT2AHCRTR1HCRTR2NPC1
SCHEMBL493522 0.93 FKBP1A (0.41) FKBP1AFKBP5FKBP4KMT2AHCRTR1
SCHEMBL493183 0.92 NPC1 (0.44) KMT2AHCRTR1HCRTR2NPC1
SCHEMBL493035 0.91 FKBP1A (0.42) FKBP1AFKBP5FKBP4KMT2AHCRTR1
SCHEMBL493022 0.90 HTR7 (0.36) FKBP1AKMT2AHCRTR1HCRTR2NPC1
SCHEMBL492715 0.90 RAB9A (0.42) KMT2AHCRTR1HCRTR2NPC1CYP3A4
SCHEMBL493162 0.89 POLB (0.39) FKBP1AFKBP5FKBP4KMT2AHCRTR1
SCHEMBL493234 0.88 LMNA (0.37) FKBP1AFKBP5FKBP4NPC1ALDH1A1
SCHEMBL492743 0.88 HTR7 (0.38) KMT2AHCRTR1HCRTR2

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 835/4885FKBP5 1322/4885FKBP4 1295/4885

“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.