SCHEMBL30268334

SCHEMBL30268334

Cc1c(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)sc2ccc(C(C)C)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 17/20 1.00
▸ PFKFB4 Q16877 8/20 1.00

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
SCHEMBL21857359 1.00 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL21857521 0.89 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL21857159 0.87 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL21856940 0.87 PFKFB3 (0.82) PFKFB3PFKFB4
SCHEMBL21857339 0.87 PFKFB3 (0.82) PFKFB3PFKFB4
SCHEMBL21857057 0.87 PFKFB4 (1.00) PFKFB3PFKFB4
SCHEMBL21857478 0.86 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL21857007 0.85 PFKFB3 (0.79) PFKFB3PFKFB4
SCHEMBL794120 0.83 PFKFB3 (0.71) PFKFB3PFKFB4
SCHEMBL21857667 0.82 PFKFB3 (0.74) PFKFB3PFKFB4

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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 PFKFB3 1/4885PFKFB4 2/4885

“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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