SCHEMBL22005111

SCHEMBL22005111

CCn1c(C(=O)OC)c(-c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 11/20 0.56
PLA2G2A P14555 1/20 0.49
ALDH1A1 P00352 1/20 0.48
ACLY P53396 1/20 0.48
MAPT P10636 2/20 0.47
DPP4 P27487 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4709304 0.86 MAPK8 (0.70) MAPK8DPP4
SCHEMBL22022202 0.84 PLA2G2A (0.52) MAPK8PLA2G2AALDH1A1ACLYMAPT
SCHEMBL11729659 0.79 KMT2A (0.56) MAPK8ALDH1A1ACLYMAPTDPP4
SCHEMBL11730958 0.78 ALDH1A1 (0.51) MAPK8ALDH1A1ACLYKMT2A
SCHEMBL22003802 0.78 HTR6 (0.56) ALDH1A1ACLYMAPTDPP4
SCHEMBL22003908 0.77 ACLY (0.78) MAPK8PLA2G2AACLYMAPT
SCHEMBL6090931 0.76 KMT2A (0.58) MAPK8PLA2G2AALDH1A1MAPTKMT2A
SCHEMBL4713124 0.76 MAPK8 (0.81) MAPK8
SCHEMBL12044037 0.76 EDNRB (0.55) MAPK8PLA2G2AALDH1A1MAPTKMT2A
SCHEMBL4711159 0.75 MAPK8 (0.60) MAPK8DPP4

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 MAPK8 3384/4885PLA2G2A 3356/4885ALDH1A1 1455/4885

“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.