Sugi Predict

Sugi Predict / Compounds / SCHEMBL2172303

SCHEMBL2172303

SCHEMBL2172303

COC(=O)[C@H]1C[C@H](O)CN(C)[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM10 O14672 7/20 0.55
▸ ERBB2 P04626 7/20 0.55
▸ MMP2 P08253 5/20 0.55
▸ MMP9 P14780 3/20 0.49
▸ MMP3 P08254 2/20 0.49
▸ MMP12 P39900 1/20 0.49
▸ MMP14 P50281 1/20 0.49
▸ ADAM8 P78325 1/20 0.49
▸ ADAM17 P78536 1/20 0.49
▸ ADAM33 Q9BZ11 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NAMPT P43490 2/20 0.44
▸ MMP1 P03956 1/20 0.41

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
SCHEMBL3458400 0.89 ALDH1A1 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2174616 0.84 ADAM10 (0.49) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL6023765 0.84 ADAM10 (0.50) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2172713 0.83 ADAM10 (0.57) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2172725 0.83 ADAM10 (0.57) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL16393740 0.82 ADAM10 (0.48) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL16393743 0.82 ADAM10 (0.47) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2176051 0.77 ADAM10 (0.65) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457383 0.77 ALDH1A1 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3458021 0.77 ALDH1A1 (0.58) ADAM10ERBB2MMP2MMP9MMP3

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 25/4885ERBB2 2986/4885MMP2 4/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ADAM10 26/4885ERBB2 3036/4885MMP2 2/4885

“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.