SCHEMBL8220243

SCHEMBL8220243

CS(=O)(=O)OCc1coc(CNC(=O)n2nnc3ccccc32)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.45
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ F12 P00748 5/20 0.37
▸ MGAM O43451 5/20 0.36
▸ AMY1A P0DUB6 5/20 0.36
▸ GAA P10253 5/20 0.36
▸ SI P14410 5/20 0.36
▸ MGAM2 Q2M2H8 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MIF P14174 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SLC9A1 P19634 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
SCHEMBL8210801 0.84 ASAH1 (0.49) ASAH1MGLLKMT2AMAPTTSHR
SCHEMBL8218067 0.81 ASAH1 (0.54) ASAH1MGLLKMT2AMAPTTSHR
SCHEMBL8218828 0.81 ASAH1 (0.45) ASAH1CYP1A2CYP3A4CYP2D6MGLL
SCHEMBL16357075 0.80 CYP1A2 (0.39) ASAH1CYP1A2CYP3A4CYP2D6MGLL
SCHEMBL8218126 0.80 ASAH1 (0.46) ASAH1MGLLKMT2AMAPTTSHR
SCHEMBL8218107 0.79 PTK2 (0.46) ASAH1MGLLKMT2AMAPTF12
SCHEMBL8214093 0.79 ASAH1 (0.49) ASAH1MGLLKMT2AMAPTTSHR
SCHEMBL14470765 0.78 CYP1A2 (0.38) ASAH1CYP1A2CYP3A4CYP2D6MGLL
SCHEMBL8218648 0.71 ASAH1 (0.60) ASAH1MGLLKMT2AHSD17B10F12
SCHEMBL3796522 0.71 CA1 (0.39) CYP1A2HTTNPSR1KDM4ELMNA

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 6 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-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 ASAH1 31/4885CYP1A2 2345/4885CYP3A4 3543/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ASAH1 37/4885CYP1A2 1931/4885CYP3A4 3343/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ASAH1 42/4885CYP1A2 746/4885CYP3A4 1407/4885

“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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