SCHEMBL8221850

SCHEMBL8221850

Cc1cc(OCc2csc(CNC(=O)n3nnc4ccccc43)n2)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.41
▸ MGLL Q99685 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ SMN1; SMN2 Q16637 8/20 0.38
▸ HTT P42858 3/20 0.38
▸ GAA P10253 2/20 0.37
▸ MGAM O43451 1/20 0.37
▸ AMY1A P0DUB6 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL8210919 0.92 MGLL (0.45) ASAH1MGLLADAM17SMN1; SMN2HTT
SCHEMBL8221502 0.81 ASAH1 (0.42) ASAH1MGLLSMN1; SMN2HTTGAA
SCHEMBL8218828 0.79 ASAH1 (0.45) ASAH1MGLLHTTGAAMGAM
SCHEMBL8221507 0.79 ASAH1 (0.49) ASAH1MGLLSMN1; SMN2HTTGAA
SCHEMBL8220332 0.78 ASAH1 (0.54) ASAH1MGLLADAM17SMN1; SMN2GAA
SCHEMBL8214379 0.77 ASAH1 (0.46) ASAH1MGLLSMN1; SMN2HTTGAA
SCHEMBL8218911 0.77 ASAH1 (0.46) ASAH1MGLLSMN1; SMN2HTTGAA
SCHEMBL8218185 0.76 ASAH1 (0.47) ASAH1MGLLADAM17SMN1; SMN2GAA
SCHEMBL8218175 0.76 F12 (0.46) ASAH1MGLLSMN1; SMN2HTTGAA
SCHEMBL8218142 0.76 ASAH1 (0.45) ASAH1MGLLADAM17HTTGAA

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 8 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
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

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 31/4885MGLL 588/4885ADAM17 4/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ASAH1 37/4885MGLL 1313/4885ADAM17 11/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ASAH1 42/4885MGLL 1323/4885ADAM17 7/4885

“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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