SCHEMBL21999892

SCHEMBL21999892

O=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cccc2nsnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 9/20 1.00
CTDSP1 Q9GZU7 3/20 0.59
CASP6 P55212 2/20 0.59
DUSP3 P51452 1/20 0.59
PTPN5 P54829 1/20 0.59
PTPN11 Q06124 1/20 0.59
POLB P06746 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
ATM Q13315 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
METAP2 P50579 1/20 0.53
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
CCKBR P32239 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
SCHEMBL21999978 0.86 ACLY (0.74) ACLYCTDSP1CASP6DUSP3PTPN5
SCHEMBL21999593 0.76 ACLY (1.00) ACLY
SCHEMBL21930819 0.76 ACLY (1.00) ACLY
SCHEMBL21999735 0.76 ACLY (1.00) ACLY
SCHEMBL22000532 0.75 ACLY (1.00) ACLY
SCHEMBL21999888 0.75 ACLY (1.00) ACLY
SCHEMBL12659881 0.73 MEN1 (0.73) ACLYCTDSP1CASP6DUSP3PTPN5
SCHEMBL3911114 0.73 L3MBTL1 (0.73) ACLYCTDSP1CASP6DUSP3PTPN5
SCHEMBL22000630 0.73 ACLY (0.77) ACLY
SCHEMBL3899468 0.73 L3MBTL1 (1.00) ACLYCTDSP1CASP6DUSP3PTPN5

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 1/4885CTDSP1 1033/4885CASP6 4034/4885

“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.