SCHEMBL22012127

SCHEMBL22012127

O=S(=O)(Cl)c1cnc(C(O)(COCCOCc2ccccc2)COCCOCc2ccccc2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
LNPEP Q9UIQ6 1/20 0.33
AGTR1 P30556 1/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
FAAH O00519 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 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
SCHEMBL25034038 0.89 KDM4E (0.37) KDM4EPOLBLNPEPKMT2AMEN1
SCHEMBL21962696 0.81 LNPEP (0.34) KDM4EPOLBLNPEPMAOAMAOB
SCHEMBL21962770 0.78 KDM4E (0.36) KDM4EPOLBLNPEPHTTSMN1; SMN2
SCHEMBL21962766 0.78 KDM4E (0.36) KDM4EPOLBLNPEPHTTSMN1; SMN2
SCHEMBL24978550 0.77 KDM4E (0.35) KDM4EPOLBLNPEPHTTSMN1; SMN2
SCHEMBL24978553 0.76 LNPEP (0.30) LNPEP
SCHEMBL22012117 0.74 LNPEP (0.35) KDM4EPOLBLNPEPKMT2ANAAA
SCHEMBL24978552 0.72 LNPEP (0.31) LNPEPHDAC3HDAC4HDAC1HDAC7
SCHEMBL21962661 0.72 HDAC3 (0.32) LNPEPHDAC3HDAC4HDAC1HDAC7
SCHEMBL25034074 0.72 NLRP3 (0.39)

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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020102576-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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4486/4885POLB 4639/4885LNPEP 181/4885

“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.