Sugi Predict

Sugi Predict / Compounds / SCHEMBL5440422

SCHEMBL5440422

SCHEMBL5440422

COc1ccc(C(C(CCc2ccccc2)NC(=O)OC(C)(C)C)S(N)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.46
▸ CTSS P25774 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ CA2 P00918 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RECQL P46063 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
SCHEMBL13986001 0.75 CTSK (0.56) CTSKCTSSPPARGPPARAKLK5
SCHEMBL3757945 0.74 CTSK (0.58) CTSKCTSSCA2CA1KMT2A
SCHEMBL3757948 0.74 CTSK (0.58) CTSKCTSSCA2CA1KMT2A
SCHEMBL3722338 0.74 CTSK (0.58) CTSKCTSSCA2CA1KMT2A
SCHEMBL5440426 0.74 CTSK (0.46) CTSKCTSSALDH1A1CA1MMP1
SCHEMBL6404630 0.74 L3MBTL1 (0.44) ALDH1A1MMP1MMP2MMP3PDE4A
SCHEMBL7258293 0.74 L3MBTL1 (0.44) ALDH1A1MMP1MMP2MMP3PDE4A
SCHEMBL20028163 0.74 CTSK (0.55) CTSKCTSSPPARGPPARAKLK5
SCHEMBL3841362 0.73 CTSK (0.57) CTSKCTSSCA1PPARGPPARA
SCHEMBL18653928 0.73 CTSK (0.57) CTSKCTSSCA2CA1KMT2A

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 disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 — — US disclosed
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 — — US disclosed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 — — US disclosed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 — — 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 (3 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 CTSK 8/4885CTSS 1/4885ALDH1A1 3814/4885
US-20030158231-A1 Sulfonamide compounds as protease inhibitors PRSS1, PRSS3, SPINT2 CTSK 43/4885CTSS 13/4885ALDH1A1 2068/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CTSK 8/4885CTSS 1/4885ALDH1A1 3814/4885

“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.