SCHEMBL21999830

SCHEMBL21999830

CS(=O)(=O)NC(=O)c1ccc(F)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
ACLY P53396 1/20 0.49
SCN9A Q15858 13/20 0.47
SCN5A Q14524 6/20 0.47
SCN2B O60939 5/20 0.47
SCN1B Q07699 5/20 0.47
PTPN1 P18031 1/20 0.47
SCN1A P35498 3/20 0.45
MAP4K4 O95819 1/20 0.45
P4HTM Q9NXG6 2/20 0.44

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
SCHEMBL22503216 0.81 HDAC1 (0.47) HDAC1HDAC6SCN9ASCN5APTPN1
SCHEMBL18013245 0.81 ACLY (0.49) HDAC1HDAC6ACLYSCN9ASCN5A
SCHEMBL714409 0.80 HDAC6 (0.43) HDAC1HDAC6ACLYSCN9A
SCHEMBL2296845 0.80 HDAC6 (0.51) HDAC1HDAC6
SCHEMBL13236623 0.79 P4HTM (0.49) HDAC1HDAC6SCN9ASCN5ASCN2B
SCHEMBL31213533 0.78 HDAC1 (0.53) HDAC1HDAC6
SCHEMBL5924147 0.78 HDAC1 (0.53) HDAC1HDAC6
SCHEMBL22097524 0.77 SCN9A (0.47) HDAC1HDAC6SCN9ASCN5ASCN2B
SCHEMBL18013247 0.77 ACLY (0.46) ACLYSCN9ASCN5ASCN2BSCN1B
SCHEMBL5596417 0.77 HDAC1 (0.49) HDAC1HDAC6

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 HDAC1 1861/4885HDAC6 920/4885ACLY 1/4885

“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.