SCHEMBL24309657

SCHEMBL24309657

CC1CCCC(C)C1(O)c1cc(S(C)(=O)=O)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ CCNE1 P24864 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ HTR1A P08908 6/20 0.32
▸ HTR7 P34969 6/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ HCRTR2 O43614 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ CCND1 P24385 2/20 0.31
▸ CDK6 Q00534 2/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PIK3C3 Q8NEB9 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 1/20 0.30

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
SCHEMBL29566524 1.00 NLRP3 (0.35) NLRP3JAK1CCNE1CDK2HTR1A
SCHEMBL29567053 0.85 NLRP3 (0.34) NLRP3JAK1CCNE1CDK2HTR1A
SCHEMBL24309636 0.85 NLRP3 (0.34) NLRP3JAK1CCNE1CDK2HTR1A
SCHEMBL26807601 0.82 HTR1A (0.40) NLRP3JAK1HTR1AHTR7DRD2
SCHEMBL29566698 0.79 HTR1A (0.47) NLRP3HTR1AHTR7DRD2HTR6
SCHEMBL24309839 0.79 HTR1A (0.47) NLRP3HTR1AHTR7DRD2HTR6
SCHEMBL26807593 0.78 HRH3 (0.37) JAK1SMN1; SMN2CCNCCDK8
SCHEMBL26807590 0.76 HRH3 (0.42) JAK1HTR1AHTR7
SCHEMBL26807599 0.76 FLT3 (0.34) JAK1HTR6CCND1CDK6
SCHEMBL24309349 0.69 PIK3CG (0.42) NLRP3CCNE1CDK2HTR1AHTR7

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 2084/4885JAK1 3913/4885CCNE1 4743/4885

“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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