SCHEMBL12607874

SCHEMBL12607874

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 18/20 0.37
▸ MMP9 P14780 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ MMP15 P51511 1/20 0.33
▸ MMP16 P51512 1/20 0.33
▸ CCR2 P41597 1/20 0.32

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
SCHEMBL8050876 0.91 BACE1 (0.31) —
SCHEMBL8290280 0.91 BACE1 (0.31) —
SCHEMBL13685709 0.90 CCR2 (0.33) CCR2
SCHEMBL13685396 0.90 ADAM17 (0.37) ADAM17MMP9MMP1MMP2MMP3
SCHEMBL13685460 0.86 ADAM17 (0.38) ADAM17MMP9MMP1MMP2MMP3
SCHEMBL8289637 0.86 CTSD (0.35) —
SCHEMBL13685625 0.86 CTSD (0.35) —
SCHEMBL8291408 0.86 ADAM17 (0.38) ADAM17MMP9MMP1MMP2MMP3
SCHEMBL12607937 0.86 ADAM17 (0.36) ADAM17MMP9MMP1MMP2MMP3
SCHEMBL13685392 0.86 ADAM17 (0.34) ADAM17

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 3 patents. 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
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — 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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