SCHEMBL21999774

SCHEMBL21999774

O=S(=O)(Nc1cnn(-c2ccccc2)c1)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
ALPL P05186 1/20 0.56
EGFR P00533 2/20 0.51
FGFR1 P11362 2/20 0.51
KDR P35968 2/20 0.51

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
SCHEMBL22000020 0.76 ACLY (1.00) ACLYALPL
SCHEMBL4285713 0.75 EGFR (0.70) ACLYEGFRFGFR1KDR
SCHEMBL22000019 0.73 ACLY (0.74) ACLYALPL
SCHEMBL21999815 0.73 ACLY (1.00) ACLYALPL
SCHEMBL14433781 0.72 ACLY (0.75) ACLYALPL
SCHEMBL23389493 0.72 ALDH1A1 (0.58) ACLY
SCHEMBL21931122 0.71 ACLY (0.64) ACLYALPL
SCHEMBL21999615 0.71 ACLY (1.00) ACLYALPL
SCHEMBL4294795 0.70 ACLY (0.53) ACLYEGFRFGFR1KDR
SCHEMBL4294936 0.70 ACLY (0.54) ACLYEGFRFGFR1KDR

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 1/4885ALPL 603/4885EGFR 3507/4885

“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.