SCHEMBL2381076

SCHEMBL2381076

CS(=O)(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC2CS2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 19/20 0.69
▸ MMP9 P14780 15/20 0.69
▸ MMP14 P50281 12/20 0.69
▸ MMP3 P08254 5/20 0.69
▸ MMP8 P22894 7/20 0.50
▸ MMP1 P03956 4/20 0.50
▸ MMP7 P09237 4/20 0.50
▸ ADAM17 P78536 1/20 0.50
▸ PGR P06401 1/20 0.50

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
SCHEMBL315578 0.84 MMP2 (0.65) MMP2MMP9MMP14MMP3MMP8
SCHEMBL315716 0.82 MMP2 (1.00) MMP2MMP9MMP14MMP3MMP8
SCHEMBL2381073 0.78 MMP2 (0.78) MMP2MMP9MMP14MMP3MMP8
SCHEMBL4953617 0.76 MMP2 (0.52) MMP2MMP9MMP14MMP3MMP8
SCHEMBL10239054 0.74 MMP2 (0.75) MMP2MMP9MMP14MMP3MMP8
SCHEMBL12247618 0.74 MMP2 (0.84) MMP2MMP9MMP14MMP3MMP8
SCHEMBL10239046 0.69 MMP2 (0.71) MMP2MMP9MMP14MMP3MMP8
SCHEMBL28015271 0.69 PGR (1.00) PGR
SCHEMBL14727896 0.69 MMP2 (0.76) MMP2MMP9MMP14MMP3MMP8
SCHEMBL4205144 0.68 PGR (0.85) MMP2MMP9MMP14MMP3MMP1

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
EP-2681209-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS AQUILUS PHARMACEUTICALS INC (US) 2018-05-09 — — EP disclosed
EP-2681209-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS Aquilus Pharmaceuticals, Inc (US) 2014-01-08 — — EP disclosed
US-20130338116-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES SUCHOLEIKI IRVING (US) 2013-12-19 — — US disclosed
US-8530453-B2 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. (US) 2013-09-10 — — US disclosed
WO-2012118498-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS AQUILUS PHARMACEUTICALS, INC. (US) 2012-09-07 — — WO disclosed
US-20110230452-A1 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. 2011-09-22 — — 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-20130338116-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES MMP9, MMP10, MMP3 MMP2 5/4885MMP9 1/4885MMP14 6/4885
US-20110230452-A1 Compounds and methods for the treatment of pain and other diseases MMP9, MMP10, MMP3 MMP2 5/4885MMP9 1/4885MMP14 6/4885

“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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