SCHEMBL8218877

SCHEMBL8218877

Cc1ccc2c(c1)nc(C)n2Cc1csc(CNC(=O)n2nnc3ccccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 4/20 0.41
▸ MGLL Q99685 1/20 0.39
▸ MGAM O43451 2/20 0.39
▸ AMY1A P0DUB6 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ SI P14410 2/20 0.39
▸ MGAM2 Q2M2H8 2/20 0.39
▸ KCNMA1 Q12791 1/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ LMNA P02545 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
SCHEMBL12215826 0.93 ASAH1 (0.41) ASAH1MGLLMGAMAMY1AGAA
SCHEMBL8218142 0.93 ASAH1 (0.45) ASAH1MGLLMGAMAMY1AGAA
SCHEMBL12215829 0.92 ASAH1 (0.40) ASAH1MGLLKCNMA1HDAC1HDAC6
SCHEMBL8210917 0.86 GSK3B (0.40) ASAH1MGLLMGAMAMY1AGAA
SCHEMBL8218185 0.80 ASAH1 (0.47) ASAH1MGLLMGAMAMY1AGAA
SCHEMBL8214381 0.80 ALDH1A1 (0.43) ASAH1MGLLHTTGSK3BPOLB
SCHEMBL8221507 0.79 ASAH1 (0.49) ASAH1MGLLMGAMAMY1AGAA
SCHEMBL8218187 0.78 ASAH1 (0.49) ASAH1MGLLMGAMAMY1AGAA
SCHEMBL8214379 0.77 ASAH1 (0.46) ASAH1MGLLMGAMAMY1AGAA
SCHEMBL8218911 0.77 ASAH1 (0.46) ASAH1MGLLMGAMAMY1AGAA

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 ASAH1 31/4885MGLL 588/4885MGAM 227/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ASAH1 37/4885MGLL 1313/4885MGAM 677/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ASAH1 42/4885MGLL 1323/4885MGAM 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.

Send feedback