SCHEMBL24330481

SCHEMBL24330481

Cc1cccc(C(C)C)c1-c1nc(NS(=O)(=O)c2cccc(C(=O)O)c2)nc(Cl)c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ AKR1C3 P42330 3/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ACLY P53396 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ PTPN6 P29350 1/20 0.38

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
SCHEMBL29515436 1.00 KDM4E (0.43) KDM4ETSHRPTK2BAKR1C3CASP3
SCHEMBL24330440 0.91 KDM4E (0.49) KDM4ETSHRPTK2BAKR1C3CASP3
SCHEMBL29515127 0.91 SLC40A1 (0.43) ALDH1A1KMT2ACA1CA2MEN1
SCHEMBL24330524 0.91 SLC40A1 (0.43) ALDH1A1KMT2ACA1CA2MEN1
SCHEMBL29515212 0.88 TSHR (0.47) KDM4ETSHRPTK2BAKR1C3CASP3
SCHEMBL24331089 0.88 TSHR (0.47) KDM4ETSHRPTK2BAKR1C3CASP3
SCHEMBL29515248 0.87 KDM4E (0.42) KDM4ETSHRPTK2BAKR1C3CASP3
SCHEMBL24331148 0.87 KDM4E (0.42) KDM4ETSHRPTK2BAKR1C3CASP3
SCHEMBL30588884 0.86 CASP3 (0.42) KDM4ETSHRPTK2BAKR1C3CASP3
SCHEMBL26126074 0.86 CASP3 (0.42) KDM4ETSHRPTK2BAKR1C3CASP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
WO-2022076620-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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KDM4E 4311/4885TSHR 2057/4885PTK2B 3355/4885

“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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