SCHEMBL29566559

SCHEMBL29566559

Cc1cccc(C)c1-c1cc(Oc2ccccc2OC(C)C)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.40
▸ HTR1A P08908 6/20 0.38
▸ HTR7 P34969 6/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EGFR P00533 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 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
SCHEMBL24310209 1.00 BRD4 (0.40) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL29567022 0.91 BRD4 (0.41) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL24309574 0.91 BRD4 (0.41) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL26810102 0.88 BRD4 (0.37) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL29566943 0.88 BRD4 (0.47) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL24309515 0.88 BRD4 (0.47) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL26810224 0.88 BRD4 (0.39) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL24310345 0.85 TSHR (0.43) BRD4HTR1AHTR7TSHRSMN1; SMN2
SCHEMBL29566612 0.85 TSHR (0.43) BRD4HTR1AHTR7TSHRSMN1; SMN2
SCHEMBL26810225 0.85 SLC22A12 (0.40) BRD4TSHRSMN1; SMN2

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
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

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 BRD4 1716/4885HTR1A 4018/4885HTR7 3833/4885

“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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