SCHEMBL24310459

SCHEMBL24310459

Cn1cc(S(=O)(=O)Nc2nc(Cl)cc(C3CC3(C)C)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.36
▸ KAT6A Q92794 1/20 0.34
▸ KAT5 Q92993 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CCNB2 O95067 4/20 0.32
▸ CCNE2 O96020 4/20 0.32
▸ CDK1 P06493 4/20 0.32
▸ CCNB1 P14635 4/20 0.32
▸ CCNE1 P24864 4/20 0.32
▸ CDK2 P24941 4/20 0.32
▸ CDK5 Q00535 4/20 0.32
▸ CDK5R1 Q15078 4/20 0.32
▸ CCNB3 Q8WWL7 4/20 0.32
▸ CCNT1 O60563 3/20 0.32
▸ CDK9 P50750 3/20 0.32
▸ HTR1A P08908 3/20 0.32

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
SCHEMBL24309697 0.88 NLRP3 (0.35) NLRP3KAT6AKAT5JAK1MALT1
SCHEMBL24309266 0.84 NLRP3 (0.41) NLRP3KAT6AKAT5JAK1MALT1
SCHEMBL24309692 0.83 NLRP3 (0.39) NLRP3KAT6AKAT5JAK1MALT1
SCHEMBL24309306 0.82 NLRP3 (0.38) NLRP3KAT6AKAT5JAK1MALT1
SCHEMBL29566369 0.81 HTR1A (0.36) EGFRFGFR1KDRHTR1AHTR7
SCHEMBL24310460 0.81 HTR1A (0.36) EGFRFGFR1KDRHTR1AHTR7
SCHEMBL26810530 0.80 CDK2 (0.35) NLRP3JAK1CDK1CCNE1CDK2
SCHEMBL26810543 0.78 HTR1A (0.39) NLRP3HTR1AHTR7BRD4
SCHEMBL26810527 0.78 HTR1A (0.35) NLRP3JAK1HTR1AHTR7PARG
SCHEMBL24310052 0.77 SLC6A9 (0.39) NLRP3KAT6AKAT5JAK1MALT1

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-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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 2084/4885KAT6A 2853/4885KAT5 3390/4885

“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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