SCHEMBL22866864

SCHEMBL22866864

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ NLRP3 Q96P20 5/20 0.43
▸ SLC13A5 Q86YT5 1/20 0.41
▸ WNT3A P56704 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ ACVR2A P27037 1/20 0.35
▸ TGFBR2 P37173 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ CTSA P10619 3/20 0.35
▸ ATR Q13535 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ EGLN1 Q9GZT9 2/20 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
SCHEMBL22867183 0.83 NLRP3 (0.37) NLRP3ACVR2ATGFBR2PDE3BPDE3A
SCHEMBL29691524 0.81 NLRP3 (0.58) PTGDR2NLRP3SLC13A5WNT3ANR4A2
SCHEMBL22774290 0.81 NLRP3 (0.58) PTGDR2NLRP3SLC13A5WNT3ANR4A2
Trifluoroacetic Acid SCHEMBL30163206 0.81 NLRP3 (0.54) PTGDR2NLRP3SLC13A5WNT3ANR4A2
SCHEMBL22867162 0.79 NLRP3 (0.54) NLRP3
SCHEMBL22867175 0.78 NLRP3 (0.52) PTGDR2NLRP3
SCHEMBL22866862 0.78 NLRP3 (0.49) PTGDR2NLRP3ACVR2ATGFBR2
SCHEMBL22866886 0.77 NLRP3 (0.51) PTGDR2NLRP3ACVR2ATGFBR2
SCHEMBL22867010 0.76 ACVR2A (0.39) PTGDR2NLRP3SLC13A5ACVR2ATGFBR2
SCHEMBL28791931 0.74 NLRP3 (0.49) PTGDR2NLRP3SLC13A5NR4A2DHODH

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 PTGDR2 2091/4885NLRP3 1/4885SLC13A5 651/4885

“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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