SCHEMBL24310798

SCHEMBL24310798

CCN(CC)C(=O)Cc1ccc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ MET P08581 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GPR119 Q8TDV5 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSPO P30536 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ FGFR1 P11362 1/20 0.31

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
SCHEMBL29566747 1.00 BRD4 (0.33) BRD4KDRMETPTGDR2GAA
SCHEMBL26810204 0.90 PDE4B (0.39) BRD4KDRMETGAATSHR
SCHEMBL29566776 0.90 F2 (0.38) KDRMETPTGDR2TSHRSMN1; SMN2
SCHEMBL24309560 0.90 F2 (0.38) KDRMETPTGDR2TSHRSMN1; SMN2
SCHEMBL24310203 0.89 MEN1 (0.38) BRD4KDRPTGDR2HSD11B1SMN1; SMN2
SCHEMBL26810202 0.88 LMNA (0.36) BRD4KDRMETGAATSHR
SCHEMBL26810067 0.86 ALDH1A1 (0.37) BRD4GAATSHRSMN1; SMN2LMNA
SCHEMBL26810198 0.86 HSD17B10 (0.40) BRD4GAAHSD11B1SMN1; SMN2POLB
SCHEMBL24309561 0.85 KMT2A (0.31) KDRMETLMNAKMT2AALDH1A1
SCHEMBL24310129 0.85 GAA (0.41) GAAHSD11B1POLBMEN1KMT2A

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 BRD4 1716/4885KDR 4439/4885MET 657/4885

“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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