SCHEMBL21999590

SCHEMBL21999590

O=C(O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc2nonc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 12/20 1.00
▸ POLB P06746 2/20 0.57
▸ GFER P55789 1/20 0.57
▸ KMT2A Q03164 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CCKBR P32239 2/20 0.55
▸ MCL1 Q07820 1/20 0.52

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
SCHEMBL22000089 0.79 ACLY (0.72) ACLYKMT2AGAAMCL1
SCHEMBL21999679 0.78 ACLY (0.71) ACLYCCKBRMCL1
SCHEMBL9997760 0.78 ACLY (0.64) ACLYPOLBGFERKMT2AALDH1A1
SCHEMBL21999860 0.77 ACLY (0.69) ACLYMCL1
SCHEMBL22000007 0.76 ACLY (0.61) ACLYMCL1
SCHEMBL22000566 0.76 ACLY (0.61) ACLYMCL1
SCHEMBL5244010 0.75 ACLY (0.60) ACLYPOLBGFERKMT2AALDH1A1
SCHEMBL21931063 0.74 ACLY (1.00) ACLYMCL1
SCHEMBL21930839 0.74 ACLY (1.00) ACLY
SCHEMBL22000002 0.74 ACLY (0.81) ACLYKMT2AMCL1

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-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 (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-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885POLB 794/4885GFER 680/4885

“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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