SCHEMBL21999484

SCHEMBL21999484

O=S(=O)(NC(c1ccccc1)c1ccccc1)c1cc(Cl)cc(Cl)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACLY P53396 17/20 1.00
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49

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
SCHEMBL21999482 0.88 ACLY (0.78) ACLY
SCHEMBL13660778 0.81 ACLY (0.68) ACLY
SCHEMBL22000022 0.80 ACLY (1.00) ACLY
SCHEMBL7685025 0.74 ACLY (0.58) ACLY
SCHEMBL17351953 0.73 ACLY (0.67) ACLYF2PRSS1PRSS2PRSS3
Phenol SCHEMBL11122022 0.71 ACLY (0.55) ACLYF2PRSS1PRSS2PRSS3
SCHEMBL22000196 0.70 ACLY (1.00) ACLY
SCHEMBL14433781 0.70 ACLY (0.75) ACLY
SCHEMBL21931022 0.69 ACLY (1.00) ACLY
SCHEMBL21999815 0.69 ACLY (1.00) ACLYF2PRSS1PRSS2PRSS3

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 1/4885F2 3257/4885PRSS1 2596/4885

“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.