SCHEMBL8214381

SCHEMBL8214381

O=C(NCc1nc(Cn2c(C(F)(F)F)nc3ccccc32)cs1)n1nnc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ADAM17 P78536 1/20 0.41
▸ ASAH1 Q13510 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ TP53 P04637 2/20 0.38

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
SCHEMBL8218142 0.86 ASAH1 (0.45) ADAM17ASAH1HTTGSK3BMGLL
SCHEMBL8221507 0.81 ASAH1 (0.49) ALDH1A1ASAH1HTTMEN1KMT2A
SCHEMBL12215826 0.80 ASAH1 (0.41) POLBASAH1HTTGSK3BMAPT
SCHEMBL8218877 0.80 ASAH1 (0.41) POLBASAH1HTTGSK3BMGLL
SCHEMBL8220332 0.79 ASAH1 (0.54) ALDH1A1POLBADAM17ASAH1MEN1
SCHEMBL12215829 0.78 ASAH1 (0.40) ADAM17ASAH1GSK3BKMT2AMGLL
SCHEMBL8210917 0.78 GSK3B (0.40) ADAM17ASAH1HTTGSK3BKMT2A
SCHEMBL8218202 0.76 ASAH1 (0.46) ADAM17ASAH1MEN1KMT2AMGLL
SCHEMBL8218187 0.76 ASAH1 (0.49) ALDH1A1ASAH1HTTMEN1KMT2A
SCHEMBL12215939 0.76 ASAH1 (0.50) ALDH1A1ASAH1HTTMEN1KMT2A

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 ALDH1A1 1502/4885POLB 1159/4885CYP2C9 2948/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ALDH1A1 1369/4885POLB 1908/4885CYP2C9 2663/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ALDH1A1 1342/4885POLB 1552/4885CYP2C9 1820/4885

“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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