SCHEMBL24309371

SCHEMBL24309371

Cc1ccccc1Oc1nc(NS(=O)(=O)c2cnn(C)c2)nc(-c2ccccc2C(C)C)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 13/20 0.44
▸ HTR7 P34969 13/20 0.44
▸ DRD2 P14416 5/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ HTR2A P28223 3/20 0.38
▸ THRB P10828 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL29566727 1.00 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566724 0.94 HTR1A (0.41) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309376 0.94 HTR1A (0.41) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808689 0.94 HTR1A (0.48) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566768 0.91 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309832 0.91 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808691 0.90 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808688 0.89 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309798 0.87 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566707 0.87 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A

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-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 HTR1A 4018/4885HTR7 3833/4885DRD2 4505/4885

“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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