SCHEMBL24310526

SCHEMBL24310526

CNC(=O)c1ccc(Cl)c(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cccc(N)c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCTP Q9UKL6 3/20 0.39
▸ PIK3CD O00329 5/20 0.39
▸ PIK3CA P42336 5/20 0.39
▸ PIK3CB P42338 5/20 0.39
▸ PIK3CG P48736 5/20 0.39
▸ PKM P14618 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ STARD10 Q9Y365 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ XBP1 P17861 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
SCHEMBL29567195 1.00 PCTP (0.39) PCTPPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24309276 0.92 TSHR (0.44) PCTPPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29567146 0.92 TSHR (0.44) PCTPPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29566650 0.92 FABP4 (0.40) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL24310281 0.92 FABP4 (0.40) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL29566953 0.89 PKM (0.42) PCTPPKMRAB9AMEN1KMT2A
SCHEMBL26807091 0.89 PKM (0.42) PCTPPKMRAB9AMEN1KMT2A
SCHEMBL24310290 0.86 ALDH1A1 (0.44) PKMLMNAALDH1A1
SCHEMBL29567166 0.85 TSHR (0.43) PKMMEN1KMT2ALMNAMAPT
SCHEMBL26807089 0.85 TSHR (0.43) PKMMEN1KMT2ALMNAMAPT

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 4 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
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 PCTP 121/4885PIK3CD 368/4885PIK3CA 667/4885

“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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