SCHEMBL6629902

SCHEMBL6629902

CC(C)[Si](OC(CS(=O)(=O)Cc1ccccc1)C(=O)O)(C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
ALDH1A1 P00352 4/20 0.44
FPR1 P21462 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.39
SRR Q9GZT4 2/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36

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
SCHEMBL6629895 1.00 HPGD (0.53) HPGDALDH1A1FPR1HSD17B10GAA
SCHEMBL6692785 0.80 PPARG (0.36) HPGDALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL23146085 0.79 SRR (0.57) SRRPPARGPPARA
SCHEMBL23146087 0.79 SRR (0.57) SRRPPARGPPARA
SCHEMBL14215519 0.76 HPGD (0.56) HPGDALDH1A1FPR1HSD17B10GAA
SCHEMBL5516790 0.73 HPGD (0.54) HPGDALDH1A1FPR1HSD17B10GAA
SCHEMBL12139978 0.71 HPGD (0.58) HPGDALDH1A1FPR1HSD17B10MAPT
SCHEMBL6631110 0.71 HPGD (0.54) HPGDALDH1A1FPR1HSD17B10SMN1; SMN2
SCHEMBL6631104 0.71 HPGD (0.54) HPGDALDH1A1FPR1HSD17B10SMN1; SMN2
SCHEMBL4430587 0.69 ALPI (0.56) HPGDALDH1A1FPR1HSD17B10SLC1A3

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 3 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 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 HPGD 1645/4885ALDH1A1 4046/4885FPR1 1684/4885

“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.