SCHEMBL5445424

SCHEMBL5445424

CCC(N)C(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 11/20 0.61
▸ MMP1 P03956 7/20 0.61
▸ ADAMTS4 O75173 5/20 0.61
▸ MMP13 P45452 5/20 0.61
▸ MMP14 P50281 4/20 0.61
▸ ADAMTS5 Q9UNA0 4/20 0.61
▸ MEP1B Q16820 1/20 0.61
▸ TARS1 P26639 1/20 0.53
▸ CA2 P00918 6/20 0.53
▸ CA9 Q16790 6/20 0.53
▸ MMP9 P14780 3/20 0.50
▸ CA12 O43570 5/20 0.49
▸ CA1 P00915 5/20 0.49
▸ MMP3 P08254 1/20 0.47
▸ MMP7 P09237 1/20 0.47
▸ CTSK P43235 2/20 0.46
▸ CTSS P25774 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ MMP12 P39900 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5445650 0.88 ALDH1A1 (0.48) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL5445420 0.85 MMP2 (0.61) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL14565746 0.81 MMP2 (0.56) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL7247467 0.80 MMP2 (0.72) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL6557782 0.77 MMP2 (0.64) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL6557775 0.77 LTA4H (0.40) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL5899447 0.76 MMP2 (0.70) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL6557780 0.75 MMP2 (0.61) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL5445643 0.74 ALDH1A1 (0.51) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL8048075 0.73 MMP2 (0.65) MMP2MMP1ADAMTS4MMP13MMP14

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-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 — — US claimed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 — — US claimed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 — — US disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 — — US disclosed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 — — 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-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE MMP2 115/4885MMP1 421/4885ADAMTS4 642/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE MMP2 115/4885MMP1 421/4885ADAMTS4 642/4885

“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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