SCHEMBL24309306

SCHEMBL24309306

Cn1cc(S(=O)(=O)Nc2nc(Cl)cc(C3CCCCC3)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.36
▸ JAK1 P23458 1/20 0.35
▸ CREBBP Q92793 2/20 0.34
▸ KAT6A Q92794 2/20 0.34
▸ KAT5 Q92993 1/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ CCNE1 P24864 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33

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
SCHEMBL24309692 0.99 NLRP3 (0.39) NLRP3TLR8JAK1CREBBPKAT6A
SCHEMBL24309266 0.84 NLRP3 (0.41) NLRP3JAK1KAT6AKAT5CCNE1
SCHEMBL24309697 0.83 NLRP3 (0.35) NLRP3JAK1KAT6AKAT5SLC6A9
SCHEMBL26807922 0.83 CDK1 (0.37) NLRP3TLR8JAK1CREBBPCDK2
SCHEMBL29567868 0.83 CDK1 (0.37) NLRP3TLR8JAK1CREBBPCDK2
SCHEMBL24309687 0.83 CDK1 (0.37) NLRP3TLR8JAK1CREBBPCDK2
SCHEMBL24310459 0.82 NLRP3 (0.36) NLRP3JAK1KAT6AKAT5SLC6A9
SCHEMBL26807627 0.81 GPR119 (0.39) ALDH1A1HTR1AHTR7EGFRFGFR1
SCHEMBL29566649 0.81 HTR1A (0.42) NLRP3JAK1KDM4EALDH1A1LMNA
SCHEMBL26807354 0.81 HTR1A (0.42) NLRP3JAK1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NLRP3 2084/4885TLR8 2258/4885JAK1 3913/4885

“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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