SCHEMBL24310223

SCHEMBL24310223

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.41
▸ HTR7 P34969 9/20 0.41
▸ DRD2 P14416 5/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ HTR2A P28223 4/20 0.35
▸ THRB P10828 1/20 0.34
▸ PIK3CG P48736 3/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ SCN9A Q15858 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ BRAF P15056 1/20 0.32

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
SCHEMBL29567048 1.00 HTR1A (0.41) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309645 0.93 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566687 0.93 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29567094 0.92 HTR1A (0.38) HTR1AHTR7PIK3CGPIK3CDPIK3CB
SCHEMBL26812633 0.92 HTR1A (0.38) HTR1AHTR7PIK3CGPIK3CDPIK3CB
SCHEMBL24310673 0.92 HTR1A (0.40) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566734 0.92 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26812611 0.92 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24310083 0.90 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566900 0.89 HTR1A (0.43) 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.

Send feedback