SCHEMBL2176442

SCHEMBL2176442

Cc1cc(C#N)ccc1N1CCN(C(=O)[C@H]2CCN(C)C[C@@H]2C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.42
CTSS P25774 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ADAM10 O14672 3/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 1/20 0.41
AR P10275 2/20 0.40
NOTUM Q6P988 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
RORC P51449 1/20 0.37
CTSB P07858 2/20 0.37
SLC6A9 P48067 1/20 0.37
KCNH2 Q12809 1/20 0.37
NLRP3 Q96P20 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL3456406 0.90 CTSK (0.42) CTSKCTSSFFAR4ADAM10MMP2
SCHEMBL2176445 0.89 CTSS (0.41) CTSKCTSSFFAR4ADAM10MMP2
SCHEMBL3456962 0.84 CTSK (0.42) CTSKCTSSFFAR4ADAM10MMP2
SCHEMBL3456872 0.82 CTSK (0.40) CTSKCTSSFFAR4ADAM10MMP2
SCHEMBL3456876 0.82 CTSK (0.40) CTSKCTSSFFAR4ADAM10MMP2
SCHEMBL6024520 0.82 CTSK (0.40) CTSKCTSSFFAR4ADAM10MMP2
SCHEMBL3456952 0.80 POLB (0.37) CTSKCTSSADAM10MMP2MMP9
SCHEMBL6024319 0.80 POLB (0.37) CTSKCTSSADAM10MMP2MMP9
SCHEMBL3456956 0.80 POLB (0.37) CTSKCTSSADAM10MMP2MMP9
SCHEMBL532719 0.77 HTT (0.49) FFAR4ADAM10MMP2MMP9MMP14

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 CTSK 74/4885CTSS 37/4885FFAR4 1306/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 CTSK 76/4885CTSS 42/4885FFAR4 1359/4885

“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.