SCHEMBL18157541

SCHEMBL18157541

Cc1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2-c2nc(C)oc2-c2ccc3c(c2)OC(C)(C)O3)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.39
▸ PTGS1 P23219 4/20 0.36
▸ NR1H2 P55055 10/20 0.35
▸ NR1H3 Q13133 5/20 0.35
▸ RXRA P19793 4/20 0.35
▸ HSD11B1 P28845 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ AKT1 P31749 1/20 0.31

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
SCHEMBL18157605 0.93 PTGS2 (0.39) PTGS2PTGS1NR1H2NR1H3RXRA
SCHEMBL18160215 0.91 NR1H2 (0.45) PTGS2PTGS1NR1H2NR1H3RXRA
SCHEMBL18157568 0.88 PTGS2 (0.40) PTGS2PTGS1NR1H2NR1H3RXRA
SCHEMBL18157653 0.87 PTGS2 (0.53) PTGS2PTGS1NR1H2NR1H3RXRA
SCHEMBL18157603 0.86 PTGS2 (0.47) PTGS2PTGS1NR1H2NR1H3RXRA
SCHEMBL18157694 0.86 PTGS2 (0.39) PTGS2PTGS1NR1H2NR1H3RXRA
SCHEMBL18157556 0.86 PTGS2 (0.44) PTGS2PTGS1NR1H2NR1H3RXRA
SCHEMBL18157620 0.86 PTGS2 (0.42) PTGS2PTGS1NR1H2NR1H3RXRA
SCHEMBL16083610 0.85 NR1H2 (0.39) PTGS2PTGS1NR1H2NR1H3RXRA
SCHEMBL18157623 0.85 PTGS2 (0.41) PTGS2PTGS1NR1H2NR1H3RXRA

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-20160304499-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-20 — — 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-20160304499-A1 LXR MODULATORS NR1H2, NR1H3, NR1H4 PTGS2 1661/4885PTGS1 772/4885NR1H2 1/4885

“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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