SCHEMBL21999602

SCHEMBL21999602

COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(C#N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACLY P53396 16/20 1.00
TRIM24 O15164 1/20 0.61
MAPT P10636 1/20 0.61
PIK3CD O00329 1/20 0.57
PTGES2 Q9H7Z7 2/20 0.56

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
SCHEMBL21999664 0.88 ACLY (1.00) ACLYMAPT
SCHEMBL21930910 0.85 ACLY (1.00) ACLY
SCHEMBL21931010 0.83 ACLY (1.00) ACLYPTGES2
SCHEMBL22000139 0.81 ACLY (1.00) ACLY
SCHEMBL21999901 0.81 ACLY (1.00) ACLY
SCHEMBL7148160 0.80 ALDH1A1 (0.66) ACLYTRIM24MAPTPIK3CD
SCHEMBL22000141 0.78 ACLY (1.00) ACLY
SCHEMBL6496010 0.78 ACLY (0.63) ACLYTRIM24MAPTPIK3CD
SCHEMBL22000596 0.77 ACLY (0.81) ACLY
SCHEMBL21930992 0.76 ACLY (1.00) ACLY

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 1/4885TRIM24 3654/4885MAPT 4477/4885

“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.