SCHEMBL4370623

SCHEMBL4370623

C[Si](C)(C)c1cc(Cl)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
CHRM1 P11229 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALPL P05186 5/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL17048114 0.84 EPAS1 (0.37) EPAS1DRD2DRD4DRD3DRD1
SCHEMBL12381189 0.83 CA1 (0.40) EPAS1DRD2DRD4DRD3DRD1
SCHEMBL25353653 0.82 ALPL (0.36) EPAS1DRD2DRD4DRD3ALPL
SCHEMBL2296015 0.81 L3MBTL1 (0.38) PTGS1PTGS2
SCHEMBL31204476 0.80 TSHR (0.46) EPAS1PDE4APDE4CPDE4DPTGS1
SCHEMBL19971751 0.79 PTPN1 (0.39) PDE4APDE4CPDE4DALPLADORA2A
SCHEMBL1411551 0.79 PTGS1 (0.46) EPAS1PTGS1PTGS2
SCHEMBL8359389 0.78 EPAS1 (0.46) EPAS1PDE4APDE4CPDE4DPTGS1
SCHEMBL1713611 0.78 DRD2 (0.40) DRD2DRD4DRD3CHRM1ADORA2A
SCHEMBL29607374 0.78 DRD2 (0.40) DRD2DRD4DRD3CHRM1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891484-A Condensed ring compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-10-17 CN disclosed
US-20090087721-A1 SURFACE-MODIFIED CARBON MATERIAL AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US 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-20090087721-A1 SURFACE-MODIFIED CARBON MATERIAL AND METHOD FOR PRODUCING THE SAME CD63, SCO2, CD99 EPAS1 4768/4885DRD2 2797/4885DRD4 1818/4885

“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.