SCHEMBL5418308

SCHEMBL5418308

O=C(O)C(Cc1cccc(-c2ccccc2)c1)CS(=O)(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ CPA3 P15088 3/20 0.46
▸ FOLH1 Q04609 3/20 0.46
▸ CPA1 P15085 2/20 0.46
▸ CPB1 P15086 1/20 0.46
▸ CPB2 Q96IY4 1/20 0.46
▸ GRIA2 P42262 1/20 0.45
▸ MMP2 P08253 4/20 0.44
▸ MMP9 P14780 3/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ ITGB3 P05106 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ NAALAD2 Q9Y3Q0 1/20 0.43
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A2 P43004 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43

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
SCHEMBL5426274 0.85 CYP1A2 (0.50) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL5426376 0.82 CTSS (0.60) —
SCHEMBL8535169 0.80 CYP1A2 (0.54) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL30543817 0.79 CYP1A2 (0.56) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL7322955 0.76 CYP1A2 (0.66) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL7322961 0.76 CYP1A2 (0.66) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL7322967 0.76 CYP1A2 (0.66) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL6841478 0.75 CYP1A2 (0.51) CYP1A2CPA3FOLH1CPA1GRIA2
SCHEMBL5870627 0.75 CYP1A2 (0.51) CYP1A2CPA3FOLH1CPA1GRIA2
SCHEMBL9456007 0.75 GRIA2 (0.57) CYP1A2CPA1GRIA2

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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — 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 (1 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CYP1A2 3406/4885CPA3 22/4885FOLH1 435/4885

“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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