SCHEMBL26806504

SCHEMBL26806504

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 10/20 0.41
▸ PIK3CD O00329 7/20 0.41
▸ PIK3CB P42338 7/20 0.41
▸ PIK3CA P42336 5/20 0.38
▸ HTR1A P08908 4/20 0.38
▸ HTR7 P34969 4/20 0.38
▸ MTOR P42345 4/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ KIF18A Q8NI77 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ACVR2A P27037 1/20 0.34
▸ TGFBR2 P37173 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL29566657 1.00 PIK3CG (0.41) PIK3CGPIK3CDPIK3CBPIK3CAHTR1A
SCHEMBL26811264 0.92 PIK3CG (0.38) PIK3CGPIK3CDPIK3CBPIK3CAHTR1A
SCHEMBL26811236 0.88 PIK3CG (0.38) PIK3CGPIK3CDPIK3CBPIK3CAHTR1A
SCHEMBL26811274 0.88 PIK3CG (0.40) PIK3CGPIK3CDPIK3CBPIK3CAHTR1A
SCHEMBL24310778 0.87 HTR1A (0.40) PIK3CGPIK3CDPIK3CBPIK3CAHTR1A
SCHEMBL26811267 0.86 PIK3CG (0.42) PIK3CGPIK3CDPIK3CBPIK3CAHTR1A
SCHEMBL26806550 0.86 TSHR (0.39) PIK3CGPIK3CDPIK3CBHTR1AHTR7
SCHEMBL26806541 0.86 NUDT1 (0.37) PIK3CGPIK3CDPIK3CBPIK3CAHTR1A
SCHEMBL26806539 0.86 HTR1A (0.36) PIK3CGPIK3CDPIK3CBPIK3CAHTR1A
SCHEMBL26811255 0.85 HTR1A (0.38) PIK3CGPIK3CDPIK3CBPIK3CAHTR1A

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 PIK3CG 533/4885PIK3CD 368/4885PIK3CB 655/4885

“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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