SCHEMBL24309294

SCHEMBL24309294

O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(Cl)cc(Oc3ccccc3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.64
▸ AR P10275 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ DDX3X O00571 1/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ FBP1 P09467 1/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ NFKBIA P25963 1/20 0.46

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
SCHEMBL29566554 1.00 PGR (0.64) PGRARALDH1A1LMNADDX3X
SCHEMBL29567052 0.87 ALDH1A1 (0.60) PGRALDH1A1LMNADDX3XKMT2A
SCHEMBL24298639 0.87 ALDH1A1 (0.60) PGRALDH1A1LMNADDX3XKMT2A
SCHEMBL26812645 0.87 PGR (0.61) PGRARALDH1A1LMNADDX3X
SCHEMBL29566909 0.85 LMNA (0.52) PGRARALDH1A1LMNADDX3X
SCHEMBL24309251 0.85 LMNA (0.52) PGRARALDH1A1LMNADDX3X
SCHEMBL24309299 0.85 TSHR (0.56) PGRALDH1A1LMNAKMT2AMEN1
SCHEMBL29566488 0.85 TSHR (0.56) PGRALDH1A1LMNAKMT2AMEN1
SCHEMBL24309602 0.83 PGR (0.56) PGRARALDH1A1LMNADDX3X
SCHEMBL29568117 0.83 PGR (0.56) PGRARALDH1A1LMNADDX3X

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 2 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
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 PGR 4116/4885AR 4542/4885ALDH1A1 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.

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