SCHEMBL25181506

SCHEMBL25181506

O=S(=O)(Oc1c(Cl)ccc2c1sc1ccc(Cl)cc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 11/20 0.39
▸ CA2 P00918 11/20 0.39
▸ KDM4E B2RXH2 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL21662944 0.70 CA1 (0.36) CA1CA2
SCHEMBL31299568 0.68 CA1 (0.48) CA1CA2
SCHEMBL9562446 0.67 CA1 (0.45) CA1CA2
SCHEMBL25185698 0.65 AHR (0.36) CA1CA2KDM4E
SCHEMBL25985597 0.65 CA1 (0.44) CA1CA2
SCHEMBL5704939 0.64 HTR6 (0.50) —
SCHEMBL23913394 0.64 AHR (0.40) CA1CA2
SCHEMBL20754181 0.63 AHR (0.39) CA1CA2KDM4EPIM1PIM2
SCHEMBL20754152 0.63 AHR (0.39) CA1CA2
SCHEMBL575913 0.63 CA2 (0.51) 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 1 patent. 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

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-20230146653-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, AOX1 CA1 924/4885CA2 1893/4885KDM4E 2619/4885

“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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