SCHEMBL25014622

SCHEMBL25014622

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.40
▸ ABCB1 P08183 2/20 0.38
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 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
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.35
▸ CTRB1 P17538 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL25014625 0.86 ABCB1 (0.38) MMP1ABCB1ITGA4ITGB7MAOB
SCHEMBL25014618 0.71 MMP1 (0.41) MMP1ABCB1ITGA4ITGB7MAOB
SCHEMBL25829889 0.69 MEN1 (0.43) MMP1ABCB1MAOBRAB9AALDH1A1
SCHEMBL2632623 0.68 EPHX1 (0.53) MMP1ABCB1MAOBPKMSLC7A5
SCHEMBL27846893 0.68 EPHX1 (0.53) MMP1ABCB1MAOBPKMSLC7A5
SCHEMBL6343323 0.68 EPHX1 (0.53) MMP1ABCB1MAOBPKMSLC7A5
SCHEMBL9554305 0.67 ITGA4 (0.51) ABCB1ITGA4ITGB7RAB9AALDH1A1
Hydrochloric Acid SCHEMBL3707653 0.67 EPHX1 (0.52) MMP1ABCB1MAOBPKMSLC7A5
Hydrochloric Acid SCHEMBL6343321 0.67 EPHX1 (0.52) MMP1ABCB1MAOBPKMSLC7A5
SCHEMBL10509525 0.66 NPC1 (0.51) MMP1ABCB1MAOBRAB9AALDH1A1

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 MMP1 2613/4885ABCB1 250/4885ITGA4 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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