SCHEMBL22003908

SCHEMBL22003908

COC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2n1S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 0.78
MAPK8 P45983 8/20 0.52
PLA2G2A P14555 1/20 0.46
MAPT P10636 1/20 0.42
HTR6 P50406 1/20 0.42
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL22003856 0.88 ACLY (1.00) ACLYMAPK8HTR6
SCHEMBL22022202 0.80 PLA2G2A (0.52) ACLYMAPK8PLA2G2AMAPTMAPK9
SCHEMBL22022120 0.79 ACLY (0.62) ACLYMAPK8MAPTHTR6
SCHEMBL22005111 0.77 MAPK8 (0.56) ACLYMAPK8PLA2G2AMAPT
SCHEMBL4711184 0.71 MAPK8 (0.62) MAPK8PLA2G2A
SCHEMBL4710283 0.70 MAPK8 (0.61) MAPK8PLA2G2AMAPK9MAPK10
SCHEMBL28409032 0.70 ACLY (0.57) ACLYMAPTHTR6PTGDRPTGDR2
SCHEMBL4712288 0.70 MAPK8 (0.61) MAPK8PLA2G2AMAPK9MAPK10
SCHEMBL8687160 0.70 ACLY (0.62) ACLYMAPK8
SCHEMBL8687705 0.70 KDM4E (0.53) ACLYMAPK8MAPTMAPK9PTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885MAPK8 3384/4885PLA2G2A 3356/4885

“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.