SCHEMBL26806728

SCHEMBL26806728

CC(C)c1ccccc1-c1cc(Oc2cccc(C#N)c2)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.42
▸ PIK3CD O00329 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ ACLY P53396 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PTGES2 Q9H7Z7 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PIK3C2B O00750 1/20 0.34
▸ PIK3C2G O75747 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CNR1 P21554 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
SCHEMBL26806726 0.90 POLB (0.43) PGRPOLBMAPTPIK3C2BPIK3C2G
SCHEMBL26806725 0.89 PGR (0.43) PGRPOLBGLO1SLC40A1PIK3C2B
SCHEMBL24310444 0.88 NAT1 (0.38) POLBMAPTPIK3C2BPIK3C2GTSHR
SCHEMBL29566843 0.88 NAT1 (0.38) POLBMAPTPIK3C2BPIK3C2GTSHR
SCHEMBL26806772 0.88 TSHR (0.35) PGRPIK3CDGPR119POLBMAPT
SCHEMBL26806771 0.87 PGR (0.41) PGRGPR119POLBMAPTPIK3C2B
SCHEMBL26806723 0.87 PGR (0.39) PGRPOLBMAPTPIK3C2BPIK3C2G
SCHEMBL26806627 0.86 CHEK1 (0.36) GPR119POLBJAK2MAPTPIK3C2B
SCHEMBL26806731 0.86 SCN9A (0.41) SLC22A12SCN9A
SCHEMBL26806721 0.85 PIK3C2B (0.39) PGRPOLBMAPTPIK3C2BPIK3C2G

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 PGR 4116/4885PIK3CD 368/4885CKS1B 2570/4885

“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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