SCHEMBL22010546

SCHEMBL22010546

COC(=O)c1cccnc1S(=O)(Cl)=N[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
POLB P06746 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
CNR2 P34972 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATR Q13535 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
SCHEMBL22010548 0.85 CA1 (0.45) MAP2K1SLC40A1TDP1POLBCA1
SCHEMBL3714382 0.79 TDP1 (0.50) MAP2K1SLC40A1TDP1POLBCA1
SCHEMBL22010547 0.76 SLC40A1 (0.46) MAP2K1SLC40A1TDP1POLBCA1
SCHEMBL29086564 0.74 TDP1 (0.51) MAP2K1SLC40A1TDP1POLBCA1
SCHEMBL25014901 0.74 ABL1 (0.46) POLBCA1CA2CA5ACA9
SCHEMBL25014891 0.74 KDM4E (0.45) CA1CA2CA5ACA9KDM4E
SCHEMBL9117916 0.74 SLC40A1 (0.48) MAP2K1SLC40A1TDP1POLBCA1
SCHEMBL21962934 0.73 ABCG2 (0.38) CA1CA2CA5ACA9KDM4E
SCHEMBL8629880 0.73 CA1 (0.57) MAP2K1SLC40A1TDP1POLBCA1
Methyl Alcohol SCHEMBL27853401 0.73 TDP1 (0.50) MAP2K1SLC40A1TDP1POLBCA1

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-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
WO-2020102100-A9 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-01-06 WO disclosed
WO-2020102100-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAP2K1 4495/4885SLC40A1 781/4885TDP1 1513/4885

“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.