SCHEMBL24309349

SCHEMBL24309349

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 3/20 0.42
▸ PIK3CD O00329 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ MTOR P42345 1/20 0.42
▸ TSHR P16473 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ EGFR P00533 2/20 0.35
▸ FGFR1 P11362 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MEN1 O00255 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
SCHEMBL26806586 0.89 TSHR (0.42) PIK3CGPIK3CDPIK3CBMTORTSHR
SCHEMBL29567131 0.86 PIK3CG (0.38) PIK3CGPIK3CDPIK3CBMTORTSHR
SCHEMBL26651235 0.86 PIK3CG (0.38) PIK3CGPIK3CDPIK3CBMTORTSHR
SCHEMBL24309239 0.86 CCNT1 (0.40) PIK3CGPIK3CDPIK3CBMTORTSHR
SCHEMBL24310735 0.84 PIK3CD (0.39) PIK3CGPIK3CDPIK3CBMTORTSHR
SCHEMBL26810238 0.84 SMN1; SMN2 (0.38) PIK3CGPIK3CDPIK3CBMTORTSHR
SCHEMBL24309545 0.83 TSHR (0.40) PIK3CGPIK3CDPIK3CBMTORTSHR
SCHEMBL24309275 0.83 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1CYP3A4TDP1
SCHEMBL26806550 0.82 TSHR (0.39) PIK3CGPIK3CDPIK3CBMTORTSHR
SCHEMBL24309574 0.82 BRD4 (0.41) PIK3CGPIK3CDPIK3CBMTORTSHR

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 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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