SCHEMBL12878377

SCHEMBL12878377

COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cccnc3)NC(=O)NC1=O)C2

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.82
ADAM10 O14672 2/20 0.68
MMP1 P03956 2/20 0.68
MMP2 P08253 2/20 0.68
MMP3 P08254 2/20 0.68
MMP9 P14780 2/20 0.68
MMP13 P45452 2/20 0.68
MMP14 P50281 1/20 0.68

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
SCHEMBL13218730 1.00 ADAM17 (0.82) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL13218402 0.91 ADAM17 (0.69) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL8227095 0.90 ADAM17 (1.00) ADAM17
SCHEMBL12860681 0.90 ADAM17 (0.82) ADAM17
SCHEMBL12860682 0.90 ADAM17 (0.82) ADAM17
SCHEMBL12860703 0.90 ADAM17 (0.83) ADAM17
SCHEMBL12860705 0.89 ADAM17 (0.82) ADAM17
SCHEMBL5956211 0.88 ADAM17 (1.00) ADAM17
SCHEMBL8226987 0.88 ADAM17 (0.78) ADAM17
SCHEMBL5954960 0.88 ADAM17 (0.78) ADAM17ADAM10MMP1MMP2MMP3

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 4 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-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-05-28 US disclosed
US-7488745-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-20070219218-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-09-20 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 (2 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-20070219218-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ADAM17 15/4885ADAM10 19/4885MMP1 21/4885
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADAM17 15/4885ADAM10 19/4885MMP1 21/4885

“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.