SCHEMBL8223789

SCHEMBL8223789

COc1nc(CNC(=O)OC(C)(C)C)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 3/20 0.42
KDM4A O75164 1/20 0.41
DYRK1A Q13627 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SUV39H2 Q9H5I1 2/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
NAMPT P43490 1/20 0.37
BCHE P06276 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
KCNA5 P22460 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL8218002 0.85 CA12 (0.45) CA1CA2CA9CA12KDM4A
SCHEMBL31104352 0.84 CA1 (0.44) CA1CA2CA9CA12KDM4A
SCHEMBL17680468 0.84 CA1 (0.44) CA1CA2CA9CA12KDM4A
SCHEMBL27199514 0.80 KDM4E (0.41) KDM4ELMNA
SCHEMBL30498333 0.80 KDM4E (0.41) KDM4ELMNA
SCHEMBL23552719 0.80 SUV39H2 (0.52) CA1CA2CA9CA12SUV39H2
SCHEMBL23552525 0.77 GRM4 (0.39) CA1CA2DYRK1ASUV39H2
SCHEMBL26697003 0.77 NPSR1 (0.47) CA1CA2CA9CA12KDM4A
SCHEMBL31380399 0.76 MEN1 (0.44) CA1CA2CA9CA12KDM4A
SCHEMBL16837664 0.75 HDAC1 (0.46) CA1CA2CA9CA12KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 CA1 510/4885CA2 732/4885CA9 283/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF CA1 448/4885CA2 813/4885CA9 436/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 CA1 456/4885CA2 889/4885CA9 767/4885

“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.