SCHEMBL8420164

SCHEMBL8420164

COc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(-c3ccncc3)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 11/20 0.49
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MAPK1 P28482 5/20 0.40
▸ TNF P01375 2/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ PRKG1 Q13976 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ RPS6KA5 O75582 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 1/20 0.39

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
SCHEMBL8420298 0.93 ADAM17 (0.41) ADAM17HDAC4HDAC1HDAC6MAPK1
SCHEMBL12877901 0.93 ADAM17 (0.49) ADAM17MAPK1TNFADAM10MMP1
SCHEMBL13462081 0.92 ADAM17 (0.50) ADAM17MAPK1TNF
SCHEMBL8384631 0.92 ADAM17 (0.40) ADAM17HDAC4HDAC1HDAC6MAPK1
SCHEMBL8420723 0.91 ADAM17 (0.45) ADAM17MAPK1TNF
SCHEMBL6007574 0.91 ADAM17 (0.52) ADAM17HDAC4HDAC1HDAC6MAPK1
SCHEMBL8420318 0.91 ADAM17 (0.52) ADAM17MAPK1ROCK2ROCK1DYRK1A
SCHEMBL12878363 0.91 TNF (0.43) ADAM17MAPK1TNF
SCHEMBL8422048 0.91 ADAM17 (0.48) ADAM17MAPK1
SCHEMBL12877879 0.90 ADAM17 (0.52) ADAM17MAPK1ROCK2ROCK1DYRK1A

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-7879890-B2 hydantoin derivatives that can inhibit matrix metalloproteinases and tumor necrosis factor alpha-converting enzyme, to prevent the release of tumor necrosis factor; treatment of septic shock, reperfusion injuries, meningitis, psoriasis, arthritis, inflammatory bowel disease and ankylosing spondylitis SCHERING CORPORATION (US) 2011-02-01 — — US disclosed
US-7687527-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-30 — — US disclosed
US-20090170875-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-07-02 — — US disclosed
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-05-28 — — US disclosed
US-7504424-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-03-17 — — US disclosed
US-20060276506-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-12-07 — — 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-20090170875-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADAM17 15/4885HDAC4 723/4885HDAC1 463/4885
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADAM17 15/4885HDAC4 723/4885HDAC1 463/4885
US-20060276506-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ADAM17 15/4885HDAC4 723/4885HDAC1 463/4885

“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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