SCHEMBL22004376

SCHEMBL22004376

CC(C)n1c(-c2ccc(OC(F)(F)F)cc2)cc2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 9/20 0.52
DHODH Q02127 1/20 0.39
MARS1 P56192 1/20 0.39
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 1/20 0.38
ATP1B2 P14415 1/20 0.38
ATP1A2 P50993 1/20 0.38
ATP1B3 P54709 1/20 0.38
FXYD2 P54710 1/20 0.38
ATP1A4 Q13733 1/20 0.38
HSD11B1 P28845 1/20 0.36
CHRNA7 P36544 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
GCGR P47871 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL22005071 0.84 ACLY (0.47) ACLYCYP3A4MAPTTHRB
SCHEMBL22004377 0.83 ACLY (0.54) ACLYDHODHMARS1HSD11B1CHRNA7
SCHEMBL22004166 0.82 ACLY (0.53) ACLYCYP3A4MAPTTHRB
SCHEMBL22003798 0.78 ACLY (0.44) ACLYMAPTTHRB
SCHEMBL22021799 0.77 ACLY (0.48) ACLYATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL22004395 0.76 KCNH2 (0.45) ACLYGCGRMAPTTHRB
SCHEMBL22004330 0.75 ACLY (0.50) ACLYMAPTTHRB
SCHEMBL22004112 0.74 ACLY (0.57) ACLY
SCHEMBL22003807 0.73 ACLY (0.47) ACLYMAPTTHRB
SCHEMBL22004122 0.72 ACLY (0.46) ACLYMAPTTHRB

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 1/4885DHODH 219/4885MARS1 1163/4885

“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.