SCHEMBL22012129

SCHEMBL22012129

CN(Cc1cc(S(=O)(=O)Cl)sc1Cl)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.35
SLC6A4 P31645 4/20 0.35
GLS O94925 3/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
MCHR1 Q99705 1/20 0.33
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
SOS1 Q07889 1/20 0.31
HTR2A P28223 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
SCHEMBL25034043 0.86 GLS (0.35) HTR2CSLC6A4GLSCACNA1GCACNA1B
SCHEMBL21962342 0.81 HDAC4 (0.32)
SCHEMBL22012123 0.72 HTR2C (0.38) HTR2CSLC6A4GLSCACNA1GCACNA1B
SCHEMBL21962484 0.70 ALDH1A1 (0.32) MAPT
SCHEMBL8017533 0.70 HTR2C (0.47) HTR2CSLC6A4GLSCACNA1GCACNA1B
SCHEMBL18327756 0.69 HTR2C (0.41) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL29211248 0.69 ALDH1A1 (0.43) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL8169606 0.69 SLC6A4 (0.42) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL15747297 0.69 HTR2C (0.43) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL28369852 0.68 PYCR1 (0.47) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C

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
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
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 HTR2C 3684/4885SLC6A4 2720/4885GLS 348/4885

“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.