SCHEMBL24944392

SCHEMBL24944392

COCn1c(C(C)(C)CS)cc2ccc(C(C)(C)C)cc21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 6/20 0.36
▸ POLB P06746 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL21341334 0.87 CCR9 (0.39) CCR9POLBKCNH2
SCHEMBL24943616 0.77 CCR9 (0.33) CCR9KCNH2
SCHEMBL24943789 0.75 DHFR (0.37) KCNH2
SCHEMBL24943811 0.73 CCR9 (0.38) CCR9POLB
SCHEMBL24944395 0.73 HSP90AA1 (0.36) CCR9KCNH2
SCHEMBL21341616 0.70 CCR9 (0.38) CCR9KCNH2
SCHEMBL24944390 0.70 — —
SCHEMBL21341470 0.69 HDAC10 (0.39) CCR9
SCHEMBL21341612 0.69 CCR9 (0.39) CCR9KCNH2
SCHEMBL24630688 0.69 CCR9 (0.38) CCR9KCNH2

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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 — — 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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA CCR9 3518/4885POLB 4032/4885KCNH2 4406/4885

“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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