SCHEMBL5445650

SCHEMBL5445650

CCC(N)C(=O)CNS(=O)(=O)c1ccc(Oc2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ MMP1 P03956 4/20 0.48
▸ MMP13 P45452 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ ADAMTS4 O75173 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ MEP1B Q16820 1/20 0.47
▸ ADAMTS5 Q9UNA0 1/20 0.47
▸ TBXAS1 P24557 3/20 0.46
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TARS1 P26639 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.41

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
SCHEMBL5445424 0.88 MMP2 (0.61) ALDH1A1MMP1MMP13MMP2ADAMTS4
SCHEMBL5445643 0.87 ALDH1A1 (0.51) ALDH1A1PKMHPGDALOX12MMP1
SCHEMBL14565748 0.84 ALDH1A1 (0.46) ALDH1A1PKMHPGDALOX12MMP1
SCHEMBL6557790 0.81 MMP1 (0.50) ALDH1A1PKMHPGDALOX12MMP1
SCHEMBL6557786 0.79 ALDH1A1 (0.48) ALDH1A1PKMHPGDALOX12MMP1
SCHEMBL5445420 0.74 MMP2 (0.61) MMP1MMP13MMP2ADAMTS4MMP14
SCHEMBL6558732 0.73 MMP1 (0.50) ALDH1A1HPGDMMP1MMP13MMP2
SCHEMBL14565746 0.70 MMP2 (0.56) MMP1MMP13MMP2ADAMTS4MMP14
SCHEMBL6558726 0.70 TBXAS1 (0.49) ALDH1A1PKMMMP1MMP13MMP2
SCHEMBL6558721 0.70 TBXAS1 (0.49) ALDH1A1PKMMMP1MMP13MMP2

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 ALDH1A1 3814/4885PKM 4607/4885HPGD 1476/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE ALDH1A1 3814/4885PKM 4607/4885HPGD 1476/4885

“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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