SCHEMBL6290451

SCHEMBL6290451

COCCOC(=O)N1CCC(C(C(=O)O)N(C)S(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 1.00
MMP3 P08254 18/20 1.00
MMP8 P22894 16/20 1.00
MMP2 P08253 16/20 1.00
MMP1 P03956 16/20 1.00
MMP9 P14780 15/20 1.00
MMP7 P09237 14/20 1.00
BMP1 P13497 1/20 0.48

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
SCHEMBL6290459 0.90 MMP13 (0.82) MMP13MMP3MMP8MMP2MMP1
SCHEMBL6294166 0.90 MMP13 (0.88) MMP13MMP3MMP8MMP2MMP1
SCHEMBL6291161 0.89 MMP13 (1.00) MMP13MMP3MMP8MMP2MMP1
SCHEMBL6289775 0.87 MMP13 (0.89) MMP13MMP3MMP8MMP2MMP1
SCHEMBL6291020 0.86 MMP13 (0.84) MMP13MMP3MMP8MMP2MMP1
SCHEMBL6293830 0.86 MMP13 (0.86) MMP13MMP3MMP8MMP2MMP1
SCHEMBL3250278 0.85 MMP13 (0.74) MMP13MMP3MMP8MMP2MMP1
SCHEMBL6293753 0.82 MMP8 (0.73) MMP13MMP3MMP8MMP2MMP1
SCHEMBL6289764 0.82 MMP13 (1.00) MMP13MMP3MMP8MMP2MMP1
SCHEMBL6293833 0.82 MMP13 (1.00) MMP13MMP3MMP8MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949545-B2 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-09-27 US claimed
US-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-24 US claimed
US-8847003-B2 Role of proteoglycans in drug dependence SANNA PIETRO P (US) 2014-09-30 US disclosed
US-8847003-B2 Role of proteoglycans in drug dependence SANNA PIETRO P (US) 2014-09-30 US disclosed
US-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2014-06-19 US disclosed
US-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2014-06-19 US disclosed
US-20120174240-A1 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2012-07-05 US disclosed
US-20120174240-A1 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2012-07-05 US disclosed
US-8119854-B2 Role of proteoglycans in drug dependence Sanna, Pietro P. (US) 2012-02-21 US disclosed
US-8119854-B2 Role of proteoglycans in drug dependence Sanna, Pietro P. (US) 2012-02-21 US disclosed
US-20100199361-A1 Role of Proteoglycans in Drug Dependence Sanna, Pietro Paolo (US) 2010-08-05 US disclosed
US-20100199361-A1 Role of Proteoglycans in Drug Dependence Sanna, Pietro Paolo (US) 2010-08-05 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 (4 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-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors MME, MMP2, MMP9 MMP13 38/4885MMP3 13/4885MMP8 37/4885
US-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE OGFR, CSGALNACT1, OPRL1 MMP13 544/4885MMP3 233/4885MMP8 626/4885
US-20120174240-A1 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE OGFR, CSGALNACT1, OPRL1 MMP13 544/4885MMP3 233/4885MMP8 626/4885
US-20100199361-A1 Role of Proteoglycans in Drug Dependence OGFR, CSGALNACT1, OPRL1 MMP13 544/4885MMP3 233/4885MMP8 626/4885

“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.