SCHEMBL24310052

SCHEMBL24310052

Cn1cc(S(=O)(=O)Nc2nc(Cl)cc(C3(C)CCCCC3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 2/20 0.39
▸ NLRP3 Q96P20 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.33
▸ PARG Q86W56 3/20 0.32
▸ EGFR P00533 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ KAT6A Q92794 1/20 0.32
▸ KAT5 Q92993 1/20 0.32
▸ CCNE1 P24864 4/20 0.32
▸ CDK2 P24941 4/20 0.32
▸ CCNT1 O60563 3/20 0.32
▸ CCNB2 O95067 3/20 0.32
▸ CCNE2 O96020 3/20 0.32
▸ CDK1 P06493 3/20 0.32
▸ CCNB1 P14635 3/20 0.32
▸ CDK9 P50750 3/20 0.32
▸ CDK5 Q00535 3/20 0.32
▸ CDK5R1 Q15078 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
SCHEMBL29566797 1.00 SLC6A9 (0.39) SLC6A9NLRP3MALT1PARGEGFR
SCHEMBL24309266 0.83 NLRP3 (0.41) NLRP3MALT1EGFRFGFR1KDR
SCHEMBL26810509 0.81 SLC6A9 (0.36) SLC6A9EGFRFGFR1KDR
SCHEMBL24310472 0.81 HTR1A (0.38) SLC6A9NLRP3EGFRFGFR1KDR
SCHEMBL24309462 0.80 PDPK1 (0.40) SLC6A9NLRP3MALT1EGFRFGFR1
SCHEMBL29567139 0.80 PDPK1 (0.40) SLC6A9NLRP3MALT1EGFRFGFR1
SCHEMBL26810510 0.79 HTR1A (0.36) NLRP3PARG
SCHEMBL24309697 0.79 NLRP3 (0.35) SLC6A9NLRP3MALT1PARGKAT6A
SCHEMBL26810493 0.78 PIK3CG (0.34) SLC6A9NLRP3PARGPIK3CA
SCHEMBL24309306 0.77 NLRP3 (0.38) SLC6A9NLRP3MALT1EGFRFGFR1

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 SLC6A9 822/4885NLRP3 2084/4885MALT1 4795/4885

“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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