SCHEMBL8221643

SCHEMBL8221643

O=C(O)CNC(=O)n1nnc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.64
▸ GAA P10253 6/20 0.56
▸ MGAM O43451 5/20 0.56
▸ AMY1A P0DUB6 5/20 0.56
▸ SI P14410 5/20 0.56
▸ MGAM2 Q2M2H8 5/20 0.56
▸ F2 P00734 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ SLC9A1 P19634 1/20 0.56
▸ MGLL Q99685 3/20 0.56
▸ DGAT1 O75907 1/20 0.50
▸ EGLN3 Q9H6Z9 1/20 0.50
▸ KCNMA1 Q12791 1/20 0.49
▸ F12 P00748 3/20 0.48
▸ FAAH O00519 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL13253160 0.94 ASAH1 (0.58) ASAH1GAAMGAMAMY1ASI
SCHEMBL8221504 0.87 ASAH1 (0.60) ASAH1GAAMGAMAMY1ASI
SCHEMBL8218832 0.84 ASAH1 (0.57) ASAH1GAAMGAMAMY1ASI
SCHEMBL427517 0.84 ASAH1 (0.70) ASAH1GAAMGAMAMY1ASI
SCHEMBL20150832 0.83 ASAH1 (0.71) ASAH1GAAMGAMAMY1ASI
SCHEMBL12593813 0.81 ASAH1 (0.83) ASAH1GAAMGAMAMY1ASI
Malonic Acid SCHEMBL8211367 0.80 GAA (0.61) ASAH1GAAMGAMAMY1ASI
SCHEMBL12593872 0.79 ASAH1 (0.93) ASAH1GAAMGAMAMY1ASI
SCHEMBL426720 0.78 GAA (0.59) ASAH1GAAMGAMAMY1ASI
SCHEMBL426726 0.78 ASAH1 (1.00) ASAH1GAAMGAMAMY1ASI

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-7754684-B2 Macromolecular platinum chelates ACCESS PHARMACEUTICALS, INC. (US) 2010-07-13 — — 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 31/4885GAA 55/4885MGAM 227/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ASAH1 37/4885GAA 67/4885MGAM 677/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ASAH1 42/4885GAA 59/4885MGAM 536/4885

“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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