SCHEMBL8422250

SCHEMBL8422250

COc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(-c3ccc(-c4csc(N)n4)cc3)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 4/20 0.45
▸ ADAM17 P78536 5/20 0.41
▸ MAPK1 P28482 9/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LTA4H P09960 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
SCHEMBL8420164 0.88 ADAM17 (0.49) TNFADAM17MAPK1
SCHEMBL8420286 0.86 ADAM17 (0.40) TNFADAM17MAPK1
SCHEMBL12877879 0.86 ADAM17 (0.52) ADAM17MAPK1
SCHEMBL12877952 0.86 MAPK1 (0.41) TNFADAM17MAPK1
SCHEMBL8420723 0.86 ADAM17 (0.45) TNFADAM17MAPK1
SCHEMBL8421968 0.85 MAPK1 (0.42) TNFADAM17MAPK1
SCHEMBL8422048 0.85 ADAM17 (0.48) ADAM17MAPK1
SCHEMBL13462016 0.85 ADAM17 (0.40) TNFADAM17MAPK1
SCHEMBL13462081 0.84 ADAM17 (0.50) TNFADAM17MAPK1
SCHEMBL8420455 0.84 ADAM17 (0.41) ADAM17MAPK1

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-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-7488745-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-02-10 — — 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 TNF 6/4885ADAM17 15/4885MAPK1 1569/4885
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 TNF 6/4885ADAM17 15/4885MAPK1 1569/4885
US-20060276506-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 TNF 6/4885ADAM17 15/4885MAPK1 1569/4885

“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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