SCHEMBL23416343

SCHEMBL23416343

Cc1ccc([S+]([O-])c2ccc3c(=O)[nH]ccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.41
▸ PARP1 P09874 3/20 0.41
▸ CHEK1 O14757 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ ROCK1 Q13464 8/20 0.37
▸ ROCK2 O75116 4/20 0.37
▸ PRKACA P17612 2/20 0.37
▸ PRKCD Q05655 2/20 0.37
▸ PRKG1 Q13976 1/20 0.37
▸ PKN1 Q16512 1/20 0.37
▸ PKN2 Q16513 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ CDC42BPA Q5VT25 1/20 0.37
▸ Q6ZSR9 Q6ZSR9 1/20 0.37
▸ BMP2K Q9NSY1 1/20 0.37
▸ CDC42BPB Q9Y5S2 1/20 0.37
▸ PRKACG P22612 1/20 0.35
▸ PRKACB P22694 1/20 0.35
▸ ADORA2A P29274 1/20 0.35

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
SCHEMBL23416088 0.87 GRM5 (0.52) GRM5PARP1ROCK1ROCK2PRKACA
SCHEMBL23416089 0.85 CHEK1 (0.44) GRM5PARP1CHEK1ROCK1ROCK2
SCHEMBL25010871 0.79 GRM5 (0.42) GRM5PARP1CHEK1ROCK1ROCK2
SCHEMBL6797681 0.79 PARP1 (0.53) GRM5PARP1CHEK1PIM1RPS6KA3
SCHEMBL23416324 0.75 GAA (0.48) GRM5PARP1ROCK1ROCK2PRKACA
SCHEMBL4401131 0.69 ACHE (0.50) LMNA
SCHEMBL31038353 0.69 PARP1 (0.53) GRM5PARP1CHEK1PIM1RPS6KA3
SCHEMBL1536379 0.69 PARP1 (0.53) GRM5PARP1CHEK1PIM1RPS6KA3
SCHEMBL235851 0.69 ACHE (0.50) LMNA
SCHEMBL24347857 0.67 PARP1 (0.52) GRM5PARP1ROCK1ROCK2PRKACA

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
US-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2023-02-09 — — US disclosed
WO-2021102370-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-05-27 — — WO 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-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY NFKBIA, IKBKB, NFKB2 GRM5 3749/4885PARP1 437/4885CHEK1 1412/4885

“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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