SCHEMBL24309702

SCHEMBL24309702

CC(C)c1ccccc1-c1cc(S(C)(=O)=O)nc(NS(=O)(=O)c2cnn(C)c2Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 4/20 0.32
▸ SCN5A Q14524 4/20 0.32
▸ SCN8A Q9UQD0 4/20 0.32
▸ USP1 O94782 4/20 0.32
▸ GAA P10253 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ FABP5 Q01469 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TRPC5 Q9UL62 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CCR4 P51679 1/20 0.31
▸ ACHE P22303 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
SCHEMBL29566663 1.00 SCN1A (0.32) SCN1ASCN5ASCN8AUSP1GAA
SCHEMBL29567059 0.86 USP1 (0.31) USP1GAALMNAFABP4FABP5
SCHEMBL24309340 0.86 USP1 (0.31) USP1GAALMNAFABP4FABP5
SCHEMBL26808363 0.85 ALDH1A1 (0.35) USP1ALDH1A1MAPTTRPC5TSHR
SCHEMBL26808359 0.84 GPR39 (0.35) USP1GAALMNAFABP4FABP5
SCHEMBL29566738 0.81 HTR1A (0.42) USP1ALDH1A1MAPTTSHR
SCHEMBL24309759 0.81 HTR1A (0.42) USP1ALDH1A1MAPTTSHR
SCHEMBL24309792 0.80 BRD4 (0.37) GAALMNANPSR1CCR4
SCHEMBL29566540 0.80 BRD4 (0.37) GAALMNANPSR1CCR4
SCHEMBL26808361 0.80 LTB4R (0.31) USP1TRPC5

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 SCN1A 172/4885SCN5A 190/4885SCN8A 163/4885

“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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