SCHEMBL2173554

SCHEMBL2173554

COC(=O)[C@H]1CN(/C(=N/C#N)Oc2ccccc2)CC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CTSK P43235 4/20 0.36
AR P10275 3/20 0.35
ADAM10 O14672 4/20 0.35
CTSS P25774 3/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
ADAM17 P78536 2/20 0.35
MGLL Q99685 3/20 0.35
CTSB P07858 2/20 0.35

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
SCHEMBL3456952 0.93 POLB (0.37) POLBCTSKARADAM10CTSS
SCHEMBL3456956 0.93 POLB (0.37) POLBCTSKARADAM10CTSS
SCHEMBL6024319 0.93 POLB (0.37) POLBCTSKARADAM10CTSS
SCHEMBL2171830 0.83 CTSK (0.40) CTSKADAM10CTSSMMP2MMP9
SCHEMBL2173557 0.81 AR (0.37) POLBARADAM10MMP2MMP9
SCHEMBL2174428 0.79 ADAM10 (0.42) POLBADAM10
SCHEMBL3456406 0.76 CTSK (0.42) POLBCTSKARADAM10CTSS
SCHEMBL3456876 0.76 CTSK (0.40) CTSKARADAM10CTSSMMP2
SCHEMBL6024520 0.76 CTSK (0.40) CTSKARADAM10CTSSMMP2
SCHEMBL3456872 0.76 CTSK (0.40) CTSKARADAM10CTSSMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 POLB 1594/4885CTSK 74/4885AR 2553/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 POLB 1479/4885CTSK 76/4885AR 2463/4885

“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.