SCHEMBL22867129

SCHEMBL22867129

COc1cc(-c2cc(F)cc(C(C)C)c2CC(O)O)ccn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 6/20 0.53
▸ ACVR2A P27037 4/20 0.38
▸ TGFBR2 P37173 4/20 0.38
▸ AAK1 Q2M2I8 3/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34

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
SCHEMBL21646547 0.87 NLRP3 (0.51) NLRP3ACVR2ATGFBR2AAK1PTGDR2
SCHEMBL29691524 0.84 NLRP3 (0.58) NLRP3ACVR2ATGFBR2PTGDR2
SCHEMBL22774290 0.84 NLRP3 (0.58) NLRP3ACVR2ATGFBR2PTGDR2
SCHEMBL22773925 0.83 NLRP3 (0.57) NLRP3ACVR2ATGFBR2AAK1PTGDR2
SCHEMBL23851056 0.82 NLRP3 (0.52) NLRP3ACVR2ATGFBR2PTGDR2
SCHEMBL23063393 0.82 NLRP3 (0.46) NLRP3ACVR2ATGFBR2AAK1PTGDR2
SCHEMBL22773957 0.82 NLRP3 (0.48) NLRP3ACVR2ATGFBR2AAK1PTGDR2
SCHEMBL29467111 0.82 NLRP3 (0.48) NLRP3ACVR2ATGFBR2AAK1PTGDR2
SCHEMBL23850999 0.81 NLRP3 (0.51) NLRP3ACVR2ATGFBR2AAK1PTGDR2
SCHEMBL22866622 0.81 NLRP3 (0.55) NLRP3ACVR2ATGFBR2AAK1PTGDR2

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-20210002274-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2021-01-07 — — 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-20210002274-A1 NOVEL COMPOUNDS NLRP3, NOD1, NLRP1 NLRP3 1/4885ACVR2A 4296/4885TGFBR2 1936/4885

“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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