SCHEMBL25014625

SCHEMBL25014625

COC(=O)CC(Cc1ccccc1)[SH](=O)(Cl)N[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ REN P00797 5/20 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
SCHEMBL25014622 0.86 MMP1 (0.40) ABCB1MMP1ITGA4ITGB7MAPT
SCHEMBL25014618 0.71 MMP1 (0.41) ABCB1MMP1ITGA4ITGB7MAPT
SCHEMBL9554305 0.67 ITGA4 (0.51) ABCB1ITGA4ITGB7MAPTTDP1
SCHEMBL25829887 0.67 ALDH1A1 (0.41) ABCB1MMP1ITGA4ITGB7MAPT
SCHEMBL25829889 0.67 MEN1 (0.43) ABCB1MMP1MAPTPOLBMAOB
SCHEMBL7633821 0.66 ABCB1 (0.57) ABCB1MMP1POLBMAOBALDH1A1
SCHEMBL10509525 0.66 NPC1 (0.51) ABCB1MMP1MAOBALDH1A1HSD17B10
SCHEMBL23156962 0.65 ABCB1 (0.52) ABCB1MMP1MAOBALDH1A1LMNA
SCHEMBL7505398 0.65 CPA1 (0.66) —
SCHEMBL5417909 0.65 ABCB1 (0.49) ABCB1MMP1MAOBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 — — 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 (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-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ABCB1 250/4885MMP1 2613/4885ITGA4 4626/4885

“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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