SCHEMBL21930992

SCHEMBL21930992

COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACLY P53396 15/20 1.00
PFKFB3 Q16875 3/20 0.67
PFKFB4 Q16877 2/20 0.67

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
SCHEMBL21931066 0.92 ACLY (1.00) ACLYPFKFB3PFKFB4
SCHEMBL21930967 0.89 ACLY (0.80) ACLY
SCHEMBL21930945 0.88 ACLY (1.00) ACLY
SCHEMBL21930900 0.84 ACLY (1.00) ACLYPFKFB3PFKFB4
SCHEMBL21930816 0.84 ACLY (1.00) ACLYPFKFB3PFKFB4
SCHEMBL22000001 0.81 ACLY (0.68) ACLYPFKFB3PFKFB4
SCHEMBL21931130 0.81 ACLY (1.00) ACLY
SCHEMBL21930965 0.81 ACLY (1.00) ACLY
SCHEMBL21857467 0.80 PFKFB3 (1.00) ACLYPFKFB3PFKFB4
SCHEMBL21857884 0.80 PFKFB4 (1.00) ACLYPFKFB3PFKFB4

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-11555012-B2 ACLY inhibitors and uses thereof Nimbus Artemis, Inc. (US) 2023-01-17 US disclosed
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 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-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885PFKFB3 60/4885PFKFB4 73/4885
US-11555012-B2 ACLY inhibitors and uses thereof ACLY, ATP5ME, ATP5MG ACLY 1/4885PFKFB3 60/4885PFKFB4 73/4885

“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.