Sugi Predict

Sugi Predict / Compounds / SCHEMBL6653200

SCHEMBL6653200

SCHEMBL6653200

CCC[C@H](NC(=O)C(Cc1cccs1)NC(C)C)C(O)c1nc2ccccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CTSC P53634 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CTSK P43235 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ HSF1 Q00613 2/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSPA5 P11021 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL6653196 1.00 BACE1 (0.38) BACE1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL6628301 1.00 BACE1 (0.38) BACE1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL6655217 1.00 BACE1 (0.38) BACE1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL6692447 0.86 CTSC (0.48) BACE1ALDH1A1MEN1CYP1A2HPGD
SCHEMBL6692449 0.86 CTSC (0.48) BACE1ALDH1A1MEN1CYP1A2HPGD
SCHEMBL6630423 0.86 CTSC (0.48) BACE1ALDH1A1MEN1CYP1A2HPGD
SCHEMBL6062971 0.86 CTSK (0.51) BACE1CTSK
SCHEMBL6062962 0.86 CTSK (0.51) BACE1CTSK
SCHEMBL6062966 0.86 CTSK (0.51) BACE1CTSK
SCHEMBL6062927 0.84 REN (0.37) BACE1KDM4EALDH1A1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 — — US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 — — EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 — — US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 — — EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE BACE1 53/4885KDM4E 4386/4885ALDH1A1 4046/4885

“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.