SCHEMBL24309337

SCHEMBL24309337

O=S(=O)(Nc1ncc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
PTGS2 P35354 4/20 0.51
ALDH1A1 P00352 2/20 0.49
MALT1 Q9UDY8 1/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
TSHR P16473 1/20 0.48
ADORA1 P30542 3/20 0.47
IL1RN P18510 1/20 0.46
KEAP1 Q14145 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
MAPT P10636 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
CA9 Q16790 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL24309650 0.84 NPSR1 (0.50) NPSR1PTGS2ALDH1A1PIK3CDPIK3CA
SCHEMBL24309733 0.80 PGR (0.47) NPSR1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL24310363 0.80 PGR (0.50) NPSR1ALDH1A1TSHRMAPTLMNA
SCHEMBL24310041 0.76 TSHR (0.58) NPSR1ALDH1A1TSHRMAPTLMNA
SCHEMBL5217883 0.74 NUDT1 (0.53) PTGS2ADORA1TDP1
SCHEMBL28360587 0.74 GAA (0.56) ALDH1A1ADORA1MAPTLMNAMEN1
SCHEMBL24310050 0.73 TSHR (0.59) NPSR1ALDH1A1TSHRMAPTLMNA
SCHEMBL27522601 0.73 PTGS2 (0.51) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5464866 0.73 NPSR1 (0.66) NPSR1ALDH1A1TSHRMAPTLMNA
SCHEMBL24309359 0.72 TSHR (0.50) NPSR1PIK3CDPIK3CAPIK3CBPIK3CG

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 NPSR1 3974/4885PTGS2 1821/4885ALDH1A1 3992/4885

“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.