SCHEMBL24977971

SCHEMBL24977971

CCc1c(C2CC2)nc2c(c1C(C)(C)C)CCC2

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NUDT1 P36639 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL24978158 0.83 GAA (0.38) CYP1A2GAAUSP2MAPTALDH1A1
SCHEMBL24978514 0.81 MEN1 (0.33)
SCHEMBL24978101 0.81
SCHEMBL22019776 0.80 KDM4E (0.33) CYP1A2GAAMAPTALDH1A1POLB
SCHEMBL24977984 0.80 USP2 (0.33) USP2MAPK1KDM4E
SCHEMBL24871951 0.80 KDM4E (0.33) USP2MAPK1KDM4E
SCHEMBL24979083 0.79 ACHE (0.46) CYP1A2ALDH1A1TSHRMAPK1KDM4E
SCHEMBL30162178 0.79 ACHE (0.46) CYP1A2ALDH1A1TSHRMAPK1KDM4E
SCHEMBL22019725 0.77 CYP1A2 (0.33) CYP1A2GAAMAPTALDH1A1POLB
SCHEMBL24977974 0.77 MEN1 (0.35) CYP1A2GAAUSP2MAPTTDP1

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 2 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 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 (2 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP1A2 1790/4885GAA 1444/4885USP2 4117/4885
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP1A2 2155/4885GAA 1618/4885USP2 3121/4885

“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.