SCHEMBL22005106

SCHEMBL22005106

CC(C)n1c(CC(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.49
OXER1 Q8TDS5 4/20 0.46
PPARG P37231 6/20 0.43
PPARA Q07869 5/20 0.43
PPARD Q03181 4/20 0.43
KMO O15229 2/20 0.41
CCR2 P41597 3/20 0.40
ABCB11 O95342 1/20 0.39
PTGS2 P35354 1/20 0.39
RORC P51449 1/20 0.39
PHGDH O43175 1/20 0.39

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
SCHEMBL22005144 0.81 ACLY (0.52) ACLYOXER1PPARGPPARAPPARD
SCHEMBL22004131 0.78 CCR2 (0.51) ACLYCCR2PHGDH
SCHEMBL22003794 0.72 MAPT (0.46) ACLYCCR2PHGDH
SCHEMBL22004112 0.71 ACLY (0.57) ACLYCCR2PHGDH
SCHEMBL8689671 0.71 NOD2 (0.47) CCR2
SCHEMBL1576398 0.71 PTGDR2 (0.51) ACLYKMOCCR2PHGDH
SCHEMBL19360574 0.70 RORC (0.65) PPARGRORC
SCHEMBL9239997 0.69 TDP1 (0.42) OXER1CCR2
SCHEMBL22003798 0.69 ACLY (0.44) ACLYPHGDH
SCHEMBL22021595 0.69 ACLY (0.45) ACLYPPARGPPARAPHGDH

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-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 1/4885OXER1 4240/4885PPARG 2369/4885

“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.