SCHEMBL6752977

SCHEMBL6752977

CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(Br)cc3)cc2)C(C(=O)NO)C1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 12/20 0.78
▸ MMP1 P03956 12/20 0.78
▸ MMP9 P14780 10/20 0.78
▸ MMP3 P08254 10/20 0.78
▸ MMP7 P09237 10/20 0.78
▸ ADAM17 P78536 2/20 0.59

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
SCHEMBL6265752 0.91 MMP1 (0.78) MMP13MMP1MMP9MMP3MMP7
SCHEMBL6338650 0.91 MMP1 (0.78) MMP13MMP1MMP9MMP3MMP7
SCHEMBL6337331 0.90 MMP1 (0.76) MMP13MMP1MMP9MMP3MMP7
SCHEMBL6337327 0.90 MMP1 (0.76) MMP13MMP1MMP9MMP3MMP7
SCHEMBL6339415 0.90 MMP1 (0.76) MMP13MMP1MMP9MMP3MMP7
SCHEMBL6339411 0.90 MMP1 (0.76) MMP13MMP1MMP9MMP3MMP7
Hydrochloric Acid SCHEMBL6337867 0.89 MMP1 (0.74) MMP13MMP1MMP9MMP3MMP7
SCHEMBL6283507 0.89 MMP1 (0.60) MMP13MMP1MMP9MMP3MMP7
SCHEMBL7762105 0.83 MMP1 (0.80) MMP13MMP1MMP9MMP3MMP7
SCHEMBL7341460 0.83 MMP1 (0.80) MMP13MMP1MMP9MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-11-18 — — US claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 — — EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 — — WO claimed
US-20040235952-A1 Inhibitors of severe acute respiratory syndrome (SARS) 3C-like proteinase AGOURON PHARMACEUTICALS, INC. 2004-11-25 — — US disclosed
US-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-11-18 — — US disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 — — EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 — — 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-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same TIMP3, MMP2, MMP7 MMP13 6/4885MMP1 10/4885MMP9 14/4885
US-20040235952-A1 Inhibitors of severe acute respiratory syndrome (SARS) 3C-like proteinase ACE, ACE2, PRSS3 MMP13 108/4885MMP1 433/4885MMP9 103/4885

“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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