SCHEMBL22005144

SCHEMBL22005144

Cn1c(CC(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.52
ABCB11 O95342 1/20 0.51
PTGS2 P35354 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
KMO O15229 1/20 0.47
PHGDH O43175 5/20 0.46
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
OXER1 Q8TDS5 1/20 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
SCHEMBL18126629 0.81 PPARG (0.57) KMOPPARGPPARDPPARAOXER1
SCHEMBL22005106 0.81 ACLY (0.49) ACLYABCB11PTGS2KMOPHGDH
SCHEMBL25777909 0.80 PPARG (0.56) KMOPPARGPPARDPPARAOXER1
SCHEMBL18112916 0.80 RXFP1 (0.47) RXFP1PHGDHPPARGPPARDPPARA
SCHEMBL9679406 0.79 KDM4E (0.62) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL30042365 0.79 MCL1 (0.57) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2343924 0.79 MCL1 (0.57) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2643465 0.76 RXFP1 (0.60) RXFP1PHGDHMEN1KMT2AKDM4E
SCHEMBL43328 0.76 KDM4E (0.66) RXFP1PHGDHMEN1KMT2AKDM4E
SCHEMBL1253867 0.74 RXFP1 (0.44) RXFP1PHGDHMEN1KMT2A

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 1/4885ABCB11 390/4885PTGS2 4122/4885

“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.