SCHEMBL24310673

SCHEMBL24310673

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.40
▸ HTR7 P34969 8/20 0.40
▸ PTGS2 P35354 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ DRD2 P14416 4/20 0.35
▸ HTR2A P28223 3/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ THRB P10828 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ PCK1 P35558 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
SCHEMBL24310083 0.93 HTR1A (0.39) HTR1AHTR7PTGS2PTGS1DRD2
SCHEMBL29567048 0.92 HTR1A (0.41) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL24310223 0.92 HTR1A (0.41) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL24309825 0.88 HTR1A (0.42) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL29566814 0.88 HTR1A (0.42) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL29566900 0.88 HTR1A (0.43) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL24309827 0.88 HTR1A (0.43) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL29566971 0.87 HTR1A (0.37) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL24309646 0.87 HTR1A (0.37) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL24309877 0.86 HTR1A (0.42) HTR1AHTR7DRD2HTR2AHTR6

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 6 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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 3833/4885PTGS2 1821/4885

“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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