SCHEMBL24331179

SCHEMBL24331179

Cc1cccc(CC2CCOCC2)c1-c1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)c1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ RORC P51449 3/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ PARP14 Q460N5 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ EZH2 Q15910 1/20 0.30

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
SCHEMBL29515233 1.00 GHSR (0.32) GHSRPIK3CDSCN9ARORCCNR1
SCHEMBL26125431 0.92 HTR2C (0.33) PIK3CD
SCHEMBL30588779 0.92 HTR2C (0.33) PIK3CD
SCHEMBL24331180 0.91 PIK3CD (0.32) PIK3CDSCN9ACNR2PARP14BACE1
SCHEMBL29515085 0.83 LCK (0.31) PIK3CD
SCHEMBL24332233 0.83 LCK (0.31) PIK3CD
SCHEMBL24331290 0.83 LCK (0.33) —
SCHEMBL29515209 0.83 LCK (0.33) —
SCHEMBL24332258 0.82 NQO2 (0.31) PIK3CD
SCHEMBL24331390 0.82 ADORA3 (0.31) PIK3CD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
WO-2022076620-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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GHSR 2215/4885PIK3CD 303/4885SCN9A 378/4885

“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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