SCHEMBL24309674

SCHEMBL24309674

Cc1cc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cc(C)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ HTR1A P08908 4/20 0.34
▸ HTR7 P34969 4/20 0.34
▸ GAA P10253 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ MAP4K1 Q92918 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL29566775 0.94 TSHR (0.34) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL29566254 0.92 TSHR (0.35) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL29566748 0.91 GAA (0.40) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL24310086 0.91 GAA (0.40) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL29566612 0.90 TSHR (0.43) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL24310345 0.90 TSHR (0.43) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26810238 0.88 SMN1; SMN2 (0.38) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL24309545 0.88 TSHR (0.40) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26810218 0.87 KMT2A (0.40) TSHRSMN1; SMN2GAAEGFRFGFR1
SCHEMBL24309675 0.87 MAP4K1 (0.37) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB

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 TSHR 1755/4885SMN1; SMN2 4847/4885BRD4 1716/4885

“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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