SCHEMBL22469940

SCHEMBL22469940

O=C(O)c1ccc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 8/20 1.00
▸ PTPN1 P18031 6/20 0.74
▸ CFTR P13569 3/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ DUSP22 Q9NRW4 1/20 0.67
▸ PTPN12 Q05209 1/20 0.59
▸ PTPN22 Q9Y2R2 1/20 0.59

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
SCHEMBL23001307 1.00 NLRP3 (1.00) NLRP3PTPN1CFTRMEN1KMT2A
SCHEMBL29365020 1.00 NLRP3 (1.00) NLRP3PTPN1CFTRMEN1KMT2A
SCHEMBL22469941 1.00 NLRP3 (1.00) NLRP3PTPN1CFTRMEN1KMT2A
SCHEMBL27318281 0.92 NLRP3 (0.86) NLRP3PTPN1CFTRMEN1KMT2A
SCHEMBL25144914 0.90 NLRP3 (1.00) NLRP3PTPN1CFTRMEN1KMT2A
SCHEMBL28687390 0.87 NLRP3 (1.00) NLRP3PTPN1MEN1KMT2ADUSP22
SCHEMBL28687393 0.87 NLRP3 (1.00) NLRP3PTPN1MEN1KMT2ADUSP22
SCHEMBL919042 0.81 CFTR (1.00) NLRP3CFTRMEN1KMT2ADUSP22
SCHEMBL1881897 0.81 CFTR (1.00) NLRP3CFTRMEN1KMT2ADUSP22
SCHEMBL1326698 0.81 CFTR (1.00) NLRP3CFTRMEN1KMT2ADUSP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12121565-B2 Methods of treatment of specific cancers with NLRP3 inhibitors and anti-PD1/PD-L1 antibodies DUKE UNIVERSITY (US) 2024-10-22 — — US disclosed
US-20220226480-A1 LIPID CONJUGATE PREPARED FROM SCAFFOLD MOIETY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-07-21 — — US disclosed
EP-3941897-A1 LIPID CONJUGATE PREPARED FROM SCAFFOLD MOIETY Integrated Nanotherapeutics Inc. (CA) 2022-01-26 — — EP disclosed
US-20210077582-A1 COMPOSITIONS AND METHODS FOR INCREASING THE EFFICACY OF ANTI-PD-1 ANTIBODY IMMUNOTHERAPY DUKE UNIVERSITY (US) 2021-03-18 — — US disclosed
WO-2020191477-A1 LIPID CONJUGATE PREPARED FROM SCAFFOLD MOIETY INTEGRATED NANOTHERAPEUTICS INC. (CA) 2020-10-01 — — 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-20220226480-A1 LIPID CONJUGATE PREPARED FROM SCAFFOLD MOIETY LPXN, MLX, MGLL NLRP3 341/4885PTPN1 2304/4885CFTR 4823/4885

“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.

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