SCHEMBL14727900

SCHEMBL14727900

Cc1ccc(Oc2ccc(S(=O)(=O)CC3CO3)cc2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 19/20 0.64
▸ MMP1 P03956 2/20 0.64
▸ MMP9 P14780 17/20 0.47
▸ MMP14 P50281 14/20 0.45
▸ MMP3 P08254 8/20 0.45
▸ MMP8 P22894 5/20 0.45
▸ MMP7 P09237 3/20 0.45
▸ ADAM17 P78536 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL12717348 0.87 MMP2 (0.69) MMP2MMP1MMP9MMP14MMP3
SCHEMBL10187455 0.85 MMP2 (0.60) MMP2MMP1MMP9MMP14MMP3
SCHEMBL4292169 0.82 MMP2 (0.67) MMP2MMP1MMP9MMP14MMP3
SCHEMBL14727897 0.82 MMP2 (0.71) MMP2MMP1MMP9MMP14MMP3
SCHEMBL10187454 0.80 MMP2 (0.57) MMP2MMP1MMP9MMP14MMP3
SCHEMBL10187462 0.79 MMP2 (0.67) MMP2MMP1MMP9MMP14MMP3
SCHEMBL10238689 0.79 MMP2 (0.56) MMP2MMP1MMP9MMP14MMP3
SCHEMBL314080 0.78 MMP2 (1.00) MMP2MMP1MMP9MMP14MMP3
SCHEMBL314470 0.78 MMP2 (0.61) MMP2MMP1MMP9MMP14MMP3
SCHEMBL10187427 0.77 MMP2 (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867805-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-01-16 — — US disclosed
US-20160346247-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-12-01 — — US disclosed
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
US-8937151-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-20 — — US disclosed
US-20130052184-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-02-28 — — 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 (3 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-20130052184-A1 GELATINASE INHIBITORS AND PRODRUGS MMP14, MMP9, MMP10 MMP2 15/4885MMP1 17/4885MMP9 2/4885
US-20160346247-A1 GELATINASE INHIBITORS AND PRODRUGS MMP14, MMP9, MMP10 MMP2 15/4885MMP1 17/4885MMP9 2/4885
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.

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