SCHEMBL23319794

SCHEMBL23319794

CC(C)Cc1cc(C#N)c(F)c(C(C)C)c1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.36
S1PR1 P21453 4/20 0.34
RXRA P19793 2/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL23319872 0.89 NLRP3 (0.35) NLRP3S1PR1
SCHEMBL24116487 0.84 NLRP3 (0.37) NLRP3
SCHEMBL23319819 0.83 NLRP3 (0.37) NLRP3
SCHEMBL29687458 0.83 NLRP3 (0.48) NLRP3RXRARXRBRXRGPTGDR2
SCHEMBL20681566 0.83 NLRP3 (0.48) NLRP3RXRARXRBRXRGPTGDR2
SCHEMBL25139065 0.79 NLRP3 (0.43) NLRP3RXRARXRBRXRGPTGDR2
SCHEMBL22014848 0.78 NLRP3 (0.35) NLRP3RXRARXRBRXRGPTGDR2
SCHEMBL20681231 0.78 NLRP3 (0.35) NLRP3RXRARXRBRXRGPTGDR2
SCHEMBL30791038 0.78 NLRP3 (0.35) NLRP3RXRARXRBRXRGPTGDR2
SCHEMBL20699031 0.76 NLRP3 (0.34) NLRP3PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395241-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2021-12-23 US disclosed
US-20210395241-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2021-12-23 US disclosed
CN-113613721-A NLRP modulators 诺华股份有限公司 2021-11-05 CN disclosed
EP-3817815-A1 NLRP MODULATORS Novartis AG (CH) 2021-05-12 EP 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-20210395241-A1 NLRP MODULATORS NLRP1, NLRP3, NOD1 NLRP3 2/4885S1PR1 466/4885RXRA 751/4885

“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.