SCHEMBL21962476

SCHEMBL21962476

O=C(O)C1CCc2ccsc2C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
PDK1 Q15118 1/20 0.43
TBXAS1 P24557 3/20 0.41
ACE P12821 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRIN2B Q13224 6/20 0.39
KMT2A Q03164 1/20 0.39
AKR1C3 P42330 1/20 0.37
POLB P06746 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL8637911 0.86 AKR1C3 (0.46) DRD2DRD3PDK1TBXAS1ACE
SCHEMBL2460519 0.83 KMT2A (0.45) DRD2DRD3PDK1ACEKMT2A
SCHEMBL7613074 0.81 KMT2A (0.56) DRD2DRD3GRIN2BKMT2A
SCHEMBL6989315 0.77 PDK1 (0.51) DRD2DRD3PDK1KMT2APOLB
SCHEMBL21962756 0.75 GRIN2B (0.46) DRD2DRD3ACEGRIN2BKMT2A
SCHEMBL5447410 0.73 DRD2 (0.51) DRD2DRD3CYP1A2GRIN2B
SCHEMBL367535 0.72 FAAH (0.53) CYP1A2GRIN2BAKR1C3
SCHEMBL6427539 0.72 FAAH (0.53) CYP1A2GRIN2BAKR1C3
SCHEMBL5608206 0.72 FAAH (0.53) CYP1A2GRIN2BAKR1C3
Hydrochloric Acid SCHEMBL9266537 0.70 ANPEP (0.53) CYP1A2GRIN2BAKR1C3

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 7 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
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113286784-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-20 CN disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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 DRD2 4864/4885DRD3 4855/4885PDK1 2617/4885

“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.