SCHEMBL8218107

SCHEMBL8218107

COc1ccccc1Cc1coc(CNC(=O)n2nnc3ccccc32)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.46
▸ F12 P00748 4/20 0.46
▸ GAA P10253 3/20 0.46
▸ MGAM O43451 2/20 0.46
▸ AMY1A P0DUB6 2/20 0.46
▸ SI P14410 2/20 0.46
▸ MGAM2 Q2M2H8 2/20 0.46
▸ MIF P14174 1/20 0.46
▸ ASAH1 Q13510 2/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PLA2G2A P14555 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL8218126 0.88 ASAH1 (0.46) PTK2F12GAAMGAMAMY1A
SCHEMBL8218067 0.83 ASAH1 (0.54) PTK2F12GAAMGAMAMY1A
SCHEMBL12648584 0.83 F12 (0.58) F12GAAMGAMAMY1ASI
SCHEMBL8210801 0.82 ASAH1 (0.49) F12GAAMGAMAMY1ASI
SCHEMBL8218175 0.81 F12 (0.46) PTK2F12GAAMGAMAMY1A
SCHEMBL8214093 0.79 ASAH1 (0.49) F12GAAMGAMAMY1ASI
SCHEMBL8220243 0.79 ASAH1 (0.45) F12GAAMGAMAMY1ASI
SCHEMBL8221805 0.74 F12 (0.43) F12GAAMGAMAMY1ASI
SCHEMBL8218648 0.74 ASAH1 (0.60) PTK2F12GAAMGAMAMY1A
SCHEMBL12648420 0.72 F12 (0.53) F12GAAMGAMAMY1ASI

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 7 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-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-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
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 — — US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — 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 (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 PTK2 4079/4885F12 660/4885GAA 55/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF PTK2 3207/4885F12 394/4885GAA 67/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 PTK2 2551/4885F12 444/4885GAA 59/4885

“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.

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