SCHEMBL21962077

SCHEMBL21962077

O=C(O)Cc1c(-c2ccccc2)ccc2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRB P28702 6/20 0.43
RXRA P19793 5/20 0.43
RXRG P48443 4/20 0.43
PTGS1 P23219 2/20 0.39
ABCC4 O15439 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
PDE4B Q07343 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
AKR1B1 P15121 1/20 0.37
METAP2 P50579 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PARP1 P09874 1/20 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
SCHEMBL22014435 0.88 POLB (0.36) RXRBRXRARXRGTSHRMEN1
SCHEMBL21962126 0.88 MEN1 (0.39) RXRBRXRARXRGTSHRMEN1
SCHEMBL21962078 0.82 MTNR1A (0.45) RXRBRXRARXRGTSHRMEN1
SCHEMBL22802383 0.78 HSD17B10 (0.44) RXRBRXRARXRGLMNAGAA
SCHEMBL22802363 0.77 NLRP3 (0.44) RXRBRXRARXRG
SCHEMBL19475241 0.73 RXRB (0.42) RXRBRXRARXRGLMNA
SCHEMBL20681249 0.73 RXRB (0.40) RXRBRXRARXRG
SCHEMBL5381774 0.73 AKR1B1 (0.52) PTGS1ABCC4LMNAGAATSHR
SCHEMBL21962255 0.70 BCHE (0.42) LMNAPARP1
SCHEMBL21962107 0.70 PARP1 (0.39) LMNATSHRPDE4BPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113227055-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-06 CN disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 RXRB 902/4885RXRA 772/4885RXRG 888/4885

“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.