SCHEMBL16593585

SCHEMBL16593585

COCOc1cc(Oc2ccc(S(=O)(=O)CC3CO3)cc2)ccc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 13/20 0.45
▸ MMP1 P03956 3/20 0.45
▸ MMP9 P14780 12/20 0.43
▸ MMP14 P50281 10/20 0.43
▸ MMP3 P08254 5/20 0.43
▸ AOC2 O75106 3/20 0.35
▸ KEAP1 Q14145 3/20 0.35
▸ NFE2L2 Q16236 3/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MMP8 P22894 5/20 0.35
▸ MMP7 P09237 3/20 0.34
▸ ADAM17 P78536 1/20 0.33

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
SCHEMBL16594116 0.88 MMP2 (0.60) MMP2MMP1MMP9MMP14MMP3
SCHEMBL16594098 0.83 ALDH1A1 (0.32) MMP2ADAM17
SCHEMBL2369109 0.80 MMP2 (0.50) MMP2MMP1MMP9MMP14MMP3
SCHEMBL12290472 0.78 MMP2 (0.46) MMP2MMP1MMP9MMP14MMP3
SCHEMBL16593965 0.74 ALDH1A1 (0.32) KEAP1NFE2L2
SCHEMBL14727900 0.69 MMP2 (0.64) MMP2MMP1MMP9MMP14MMP3
SCHEMBL4292169 0.69 MMP2 (0.67) MMP2MMP1MMP9MMP14MMP3
SCHEMBL10187454 0.69 MMP2 (0.57) MMP2MMP1MMP9MMP14MMP3
SCHEMBL12717348 0.68 MMP2 (0.69) MMP2MMP1MMP9MMP14MMP3
SCHEMBL10238686 0.67 MMP9 (0.71) MMP2MMP1MMP9MMP14MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321754-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-04-26 — — US disclosed
US-20150093372-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-04-02 — — 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-20150093372-A1 GELATINASE INHIBITORS AND PRODRUGS MMP14, MMP9, MMP10 MMP2 15/4885MMP1 17/4885MMP9 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.

Send feedback