SCHEMBL21662944

SCHEMBL21662944

O=S(=O)(Oc1ccc(Cl)c2c1sc1ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ TNKS O95271 1/20 0.30
▸ TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL3641821 0.87 TNKS (0.33) CA1CA2TNKSTNKS2
SCHEMBL9576708 0.78 CA1 (0.39) CA1CA2PIK3CDPIK3CAPIK3CB
SCHEMBL21662952 0.77 MAPT (0.32) TNKSTNKS2
SCHEMBL21456092 0.73 CA1 (0.38) CA1CA2PIK3CDPIK3CAPIK3CB
SCHEMBL9562242 0.73 CA1 (0.38) CA1CA2PIK3CDPIK3CAPIK3CB
SCHEMBL25185349 0.73 CDC14B (0.33) CA1CA2
SCHEMBL13294461 0.72 CA1 (0.33) CA1CA2TNKSTNKS2
SCHEMBL28614424 0.71 CA2 (0.37) CA1CA2PIK3CDPIK3CAPIK3CB
SCHEMBL25181506 0.70 CA1 (0.39) CA1CA2
SCHEMBL20754299 0.69 AHR (0.37) CA1CA2

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
US-20230146653-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2023-05-11 — — US disclosed
US-20200039971-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-02-06 — — 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 (2 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-20200039971-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, CYP1A1 CA1 3590/4885CA2 3905/4885PIK3CD 4205/4885
US-20230146653-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, AOX1 CA1 924/4885CA2 1893/4885PIK3CD 4768/4885

“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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