SCHEMBL5402218

SCHEMBL5402218

COc1ccc(Br)cc1S(=O)(=O)Nc1nc(C(C)C)ns1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
ALPL P05186 7/20 0.50
EDNRB P24530 2/20 0.49
EDNRA P25101 2/20 0.49
PKM P14618 1/20 0.49
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
WDR5 P61964 4/20 0.47
MYC P01106 1/20 0.47
BRD4 O60885 2/20 0.45
SCN9A Q15858 1/20 0.44

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
SCHEMBL5409796 0.80 KMT2A (0.56) KMT2AEDNRAPKMSMN1; SMN2SCN9A
SCHEMBL5397717 0.78 ALDH1A1 (0.57) KDM4EGAAKMT2AALPLEDNRB
SCHEMBL15220373 0.74 EDNRB (0.56) KDM4EGAAKMT2AALPLEDNRB
SCHEMBL15212145 0.74 PKM (0.64) KDM4EGAAKMT2AALPLEDNRB
SCHEMBL5391539 0.74 NMT1 (0.50) ALPLSCN9A
SCHEMBL5386607 0.72 SCN9A (0.41) KDM4EKMT2AALPLSMN1; SMN2SCN9A
SCHEMBL25341801 0.72 NPSR1 (0.65) KDM4EGAAKMT2AALPLEDNRB
SCHEMBL30519491 0.72 NPSR1 (0.65) KDM4EGAAKMT2AALPLEDNRB
SCHEMBL417865 0.72 SMN1; SMN2 (0.68) KDM4EGAAKMT2AALPLEDNRB
SCHEMBL5401411 0.71 POLB (0.44) BRD4SCN9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US claimed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US claimed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP claimed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US claimed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO claimed
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US disclosed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US disclosed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP disclosed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US disclosed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 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 (2 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-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 KDM4E 3235/4885GAA 364/4885KMT2A 3325/4885
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 KDM4E 2873/4885GAA 727/4885KMT2A 3281/4885

“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.