SCHEMBL21892896

SCHEMBL21892896

CCc1c2c(cc3c1CCC3=O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B1 P14061 3/20 0.37
MAPT P10636 2/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
CYP2A6 P11509 1/20 0.34
PRKCI P41743 1/20 0.34
CDC25B P30305 1/20 0.32
NLRP3 Q96P20 5/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BRD4 O60885 1/20 0.31
GNG2 P59768 1/20 0.31
GNB1 P62873 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL24960169 0.80 MAPT (0.45) MAPTNLRP3GNG2GNB1LMNA
SCHEMBL20713668 0.80 MAPT (0.47) MAPK1MAPTNLRP3GNG2GNB1
SCHEMBL22280260 0.77 MEN1 (0.41) MAPK1MEN1KMT2ANPSR1HSD17B1
SCHEMBL11801437 0.77 HSD17B1 (0.38) HSD17B1KDM4EALDH1A1GAAHPGD
SCHEMBL24960267 0.77 MAPT (0.38) MAPK1MEN1KMT2ANPSR1HSD17B1
SCHEMBL31474402 0.76 MAPT (0.43) MAPK1MEN1KMT2AMAPTNLRP3
SCHEMBL22011681 0.74 MEN1 (0.41) MAPK1MEN1KMT2ANPSR1HSD17B1
SCHEMBL18393609 0.74 MAPK1 (0.41) MAPK1MEN1KMT2ANPSR1HSD17B1
SCHEMBL18007624 0.74 MEN1 (0.41) MAPK1MEN1KMT2ANPSR1HSD17B1
SCHEMBL24294871 0.73 MEN1 (0.38) MAPK1MEN1KMT2ANPSR1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-19 US disclosed
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2020-03-19 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 (5 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-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPK1 1647/4885MEN1 3390/4885KMT2A 4441/4885
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPK1 1499/4885MEN1 3418/4885KMT2A 4433/4885
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 MAPK1 1647/4885MEN1 3390/4885KMT2A 4441/4885
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPK1 1904/4885MEN1 2868/4885KMT2A 2653/4885
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPK1 1647/4885MEN1 3390/4885KMT2A 4441/4885

“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.