SCHEMBL12607937

SCHEMBL12607937

C=CCNC(=O)C(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](N)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 20/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ MMP15 P51511 1/20 0.36
▸ MMP16 P51512 1/20 0.36

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
SCHEMBL8290345 0.89 — —
SCHEMBL8291430 0.89 — —
SCHEMBL12608386 0.89 — —
SCHEMBL12607874 0.86 ADAM17 (0.37) ADAM17MMP9MMP1MMP2MMP3
SCHEMBL12855918 0.85 — —
SCHEMBL13685442 0.84 PPIA (0.32) —
SCHEMBL8291501 0.83 ADAM17 (0.37) ADAM17MMP9MMP1MMP2MMP3
SCHEMBL12607439 0.82 ADAM17 (0.31) ADAM17
SCHEMBL13685725 0.80 — —
SCHEMBL12607446 0.80 ADAM17 (0.32) ADAM17MMP9MMP1MMP2MMP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease SCHERING CORPORATION 2011-06-23 — — 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 (1 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-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease TMPRSS15, SPINT2, HPN ADAM17 31/4885MMP9 386/4885MMP1 1049/4885

“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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