SCHEMBL12290472

SCHEMBL12290472

COCOc1cc(Oc2ccc(S(=O)(=O)CC3CO3)cc2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 12/20 0.46
▸ MMP1 P03956 2/20 0.46
▸ MMP9 P14780 12/20 0.42
▸ MMP14 P50281 9/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ MMP8 P22894 4/20 0.40
▸ MMP13 P45452 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MMP7 P09237 1/20 0.37
▸ AOC2 O75106 3/20 0.36
▸ MAOB P27338 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RORC P51449 1/20 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
SCHEMBL2369109 0.88 MMP2 (0.50) MMP2MMP1MMP9MMP14MMP3
SCHEMBL16404579 0.88 MMP2 (0.59) MMP2MMP1MMP9MMP14MMP3
SCHEMBL12291050 0.83 SMN1; SMN2 (0.36) MMP2L3MBTL1ALDH1A1RORC
SCHEMBL16593585 0.78 MMP2 (0.45) MMP2MMP1MMP9MMP14MMP3
SCHEMBL17039173 0.75 MMP2 (0.55) MMP2MMP1MMP9MMP14MMP3
SCHEMBL2369718 0.75 MMP2 (0.65) MMP2MMP1MMP9MMP14MMP3
SCHEMBL12291049 0.73 ABL1 (0.35) ALDH1A1
SCHEMBL2369185 0.70 NPC1 (0.41) MMP2L3MBTL1ALDH1A1TP53
SCHEMBL313439 0.70 MMP2 (0.71) MMP2MMP1MMP9MMP14MMP3
SCHEMBL14727900 0.68 MMP2 (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011109767-A2 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-09-09 — — WO 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-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.

Send feedback