SCHEMBL24309731

SCHEMBL24309731

CC(C)c1c(Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.38
▸ HTR7 P34969 3/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.36
▸ SCN1A P35498 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN8A Q9UQD0 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ EGFR P00533 2/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ CYBB P04839 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CCNT1 O60563 2/20 0.34
▸ CCNB2 O95067 2/20 0.34

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
SCHEMBL24309413 0.88 KAT6A (0.35) HTR1AHTR7DRD2HTR6NLRP3
SCHEMBL24309813 0.86 NLRP3 (0.38) HTR1AHTR7NLRP3L3MBTL1EGFR
SCHEMBL24309366 0.85 PDE10A (0.38) HTR1AHTR7NLRP3L3MBTL1EGFR
SCHEMBL24309831 0.84 KAT6A (0.41) HTR1AHTR7NLRP3L3MBTL1EGFR
SCHEMBL24310058 0.84 GAA (0.38) HTR1AHTR7NLRP3L3MBTL1EGFR
SCHEMBL24309818 0.84 HTR1A (0.36) HTR1AHTR7DRD2HTR6NLRP3
SCHEMBL24309403 0.83 PTPN1 (0.35) HTR1AHTR7NLRP3L3MBTL1EGFR
SCHEMBL24309501 0.83 MALT1 (0.37) HTR1AHTR7NLRP3L3MBTL1EGFR
SCHEMBL24309573 0.82 HTR1A (0.38) HTR1AHTR7NLRP3L3MBTL1EGFR
SCHEMBL24309266 0.81 NLRP3 (0.41) HTR1AHTR7NLRP3SCN1ASCN5A

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 6 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
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 HTR1A 4018/4885HTR7 3833/4885DRD2 4505/4885

“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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