SCHEMBL1820366

SCHEMBL1820366

COc1cc(-c2nc3sc4c(c3c(=O)n2Cc2ccccc2)CC(C)C(Br)C4=O)c(Br)c(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.61
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2925659 0.87 HSD11B1 (0.62) HSD11B1KMT2AMEN1TP53ALDH1A1
SCHEMBL1819660 0.86 HSD11B1 (0.44) HSD11B1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1822067 0.83 HSD11B1 (0.61) HSD11B1KMT2AMEN1ALDH1A1HTT
SCHEMBL2923002 0.82 HSD11B1 (0.64) HSD11B1KMT2AMEN1TP53ALDH1A1
SCHEMBL2921031 0.79 HSD11B1 (0.79) HSD11B1KMT2AMEN1TP53ALDH1A1
SCHEMBL2922695 0.79 HSD11B1 (0.87) HSD11B1KMT2AMEN1ALDH1A1HTT
SCHEMBL2924063 0.78 HSD11B1 (0.52) HSD11B1KMT2AMEN1TP53ALDH1A1
SCHEMBL2925815 0.77 HSD11B1 (0.48) HSD11B1KMT2AMEN1TP53ALDH1A1
SCHEMBL1818757 0.77 HSD11B1 (0.47) HSD11B1KMT2AMEN1TP53ALDH1A1
SCHEMBL2926603 0.76 HSD11B1 (1.00) HSD11B1KMT2AMEN1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4686549-B2 2011-05-25 JP claimed
EP-1828197-B1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARM GMBH (DE) 2009-05-13 EP claimed
EP-1828197-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE Solvay Pharmaceuticals GmbH (DE) 2007-09-05 EP claimed
WO-2006063615-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17β-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARMACEUTICALS GMBH (DE) 2006-06-22 WO claimed
EP-1828197-B1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARM GMBH (DE) 2009-05-13 EP disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
EP-1828197-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE Solvay Pharmaceuticals GmbH (DE) 2007-09-05 EP disclosed
WO-2006063615-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17β-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARMACEUTICALS GMBH (DE) 2006-06-22 WO disclosed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 US disclosed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 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 (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-20050176742-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 HSD11B1 10/4885KMT2A 2945/4885MEN1 2028/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 HSD11B1 10/4885KMT2A 2945/4885MEN1 2028/4885

“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.