SCHEMBL26806539

SCHEMBL26806539

Cc1cccc(C)c1-c1cc(OCCOCCO)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.36
▸ HTR7 P34969 6/20 0.36
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ MALT1 Q9UDY8 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ JAK1 P23458 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MAP4K1 Q92918 2/20 0.32

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
SCHEMBL26806550 0.86 TSHR (0.39) HTR1AHTR7TSHRSMN1; SMN2PIK3CG
SCHEMBL26806504 0.86 PIK3CG (0.41) HTR1AHTR7TSHRSMN1; SMN2PIK3CG
SCHEMBL29566657 0.86 PIK3CG (0.41) HTR1AHTR7TSHRSMN1; SMN2PIK3CG
SCHEMBL26806541 0.84 NUDT1 (0.37) HTR1AHTR7TSHRSMN1; SMN2PIK3CG
SCHEMBL24309545 0.83 TSHR (0.40) HTR1AHTR7TSHRSMN1; SMN2PIK3CG
SCHEMBL26806546 0.83 MCL1 (0.35) HTR1AHTR7TSHRSMN1; SMN2PIK3CG
SCHEMBL26651235 0.82 PIK3CG (0.38) TSHRSMN1; SMN2PIK3CGPIK3CDPIK3CB
SCHEMBL29567131 0.82 PIK3CG (0.38) TSHRSMN1; SMN2PIK3CGPIK3CDPIK3CB
SCHEMBL29567022 0.82 BRD4 (0.41) HTR1AHTR7TSHRSMN1; SMN2PIK3CG
SCHEMBL24310345 0.82 TSHR (0.43) HTR1AHTR7TSHRSMN1; SMN2PIK3CG

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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US 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 HTR1A 4018/4885HTR7 3833/4885TSHR 1755/4885

“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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