Sugi Predict

Sugi Predict / Compounds / SCHEMBL2176677

SCHEMBL2176677

SCHEMBL2176677

Cc1cc(C2=CCN(C(=O)[C@@H]3[C@@H](C(=O)O)CC(F)(F)CN3C(C)(C)C)CC2)cc(C)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADAM10 O14672 12/20 0.49
▸ MMP2 P08253 12/20 0.49
▸ MMP3 P08254 5/20 0.49
▸ ERBB2 P04626 3/20 0.38
▸ MMP9 P14780 7/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ ADAM8 P78325 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ ADAM33 Q9BZ11 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NAMPT P43490 1/20 0.33
▸ MMP1 P03956 2/20 0.32
▸ CTSS P25774 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ FAP Q12884 1/20 0.30
▸ JAK1 P23458 1/20 0.30

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
SCHEMBL2176679 0.89 ADAM10 (0.49) ADAM10MMP2MMP3ERBB2MMP9
SCHEMBL3457370 0.89 ADAM10 (0.51) ADAM10MMP2MMP3ERBB2MMP9
SCHEMBL2173377 0.82 ADAM10 (0.48) ADAM10MMP2MMP3ERBB2MMP9
SCHEMBL3458715 0.80 ADAM10 (0.67) ADAM10MMP2MMP3ERBB2MMP9
SCHEMBL2172899 0.80 ADAM10 (0.62) ADAM10MMP2MMP3ERBB2MMP9
SCHEMBL2173383 0.76 ADAM10 (0.43) ADAM10MMP2MMP3ERBB2NAMPT
SCHEMBL2176675 0.75 ADAM10 (0.62) ADAM10MMP2MMP3ERBB2MMP9
SCHEMBL2173380 0.74 ADAM10 (0.42) ADAM10MMP2MMP3ERBB2NAMPT
SCHEMBL3456865 0.74 ADAM10 (0.48) ADAM10MMP2MMP3ERBB2MMP9
SCHEMBL2175334 0.73 ADAM10 (0.81) ADAM10MMP2MMP3ERBB2MMP9

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 ADAM10 25/4885MMP2 4/4885MMP3 6/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ADAM10 26/4885MMP2 2/4885MMP3 7/4885

“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.