SCHEMBL26912751

SCHEMBL26912751

CCOC(=O)C=Cc1cc2ccc(Cl)c(Cl)c2n1CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.35
DPP4 P27487 1/20 0.35
MAPT P10636 4/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CYP3A4 P08684 2/20 0.34
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
MLYCD O95822 1/20 0.32
FDPS P14324 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL30684446 1.00 TTR (0.35) TTRDPP4MAPTCA12CA1
SCHEMBL26913285 0.88 KDM4E (0.33) ALDH1A1
SCHEMBL3049623 0.82 CCR9 (0.38) TTRDPP4MAPTCA12CA1
SCHEMBL3061646 0.82 CCR9 (0.38) TTRDPP4MAPTCA12CA1
SCHEMBL2239999 0.79 KDM4E (0.42) TTRDPP4MAPTCYP3A4ALDH1A1
SCHEMBL26912340 0.78 MAPT (0.34) TTRDPP4MAPTCA12CA1
SCHEMBL30684413 0.78 MAPT (0.34) TTRDPP4MAPTCA12CA1
SCHEMBL3059141 0.77 CCR9 (0.38) TTRDPP4MAPTCA12CA1
SCHEMBL3059137 0.77 CCR9 (0.38) TTRDPP4MAPTCA12CA1
SCHEMBL23944952 0.71 ALDH1A1 (0.41) MAPTALDH1A1L3MBTL1

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-2023235809-A1 CGAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-12-07 WO disclosed
US-20230391786-A1 cGAS INHIBITORS ELI LILLY AND COMPANY 2023-12-07 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-20230391786-A1 cGAS INHIBITORS CGAS, STING1, TBK1 TTR 4587/4885DPP4 414/4885MAPT 1985/4885

“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.