SCHEMBL26912396

SCHEMBL26912396

CCOc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CC[C@@H]1NC(=O)CCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.34
▸ ROCK1 Q13464 5/20 0.32
▸ SSTR5 P35346 2/20 0.32
▸ MELK Q14680 1/20 0.31
▸ SSTR1 P30872 1/20 0.30
▸ HRH1 P35367 1/20 0.30

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
SCHEMBL30684362 1.00 ROCK2 (0.34) ROCK2ROCK1SSTR5MELKSSTR1
SCHEMBL26912886 0.91 ROCK2 (0.35) ROCK2ROCK1MELK
SCHEMBL30684417 0.91 ROCK2 (0.35) ROCK2ROCK1MELK
SCHEMBL26913077 0.90 ROCK2 (0.36) ROCK2ROCK1MELK
SCHEMBL26912901 0.90 ROCK2 (0.36) ROCK2ROCK1MELK
SCHEMBL30684398 0.90 ROCK2 (0.36) ROCK2ROCK1MELK
SCHEMBL30684258 0.90 ROCK2 (0.36) ROCK2ROCK1MELK
SCHEMBL26912404 0.83 ROCK2 (0.32) ROCK2ROCK1
SCHEMBL30684385 0.81 CGAS (0.33) ROCK2
SCHEMBL26913846 0.81 CGAS (0.33) ROCK2

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-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 ROCK2 878/4885ROCK1 824/4885SSTR5 3811/4885

“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.

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