SCHEMBL16126240

SCHEMBL16126240

Cc1nc(-c2ccc3c(c2)OC(F)(F)O3)c(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-c2cc(CO)nn2C)o1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.36
▸ PTGS1 P23219 4/20 0.34
▸ NR1H2 P55055 5/20 0.32
▸ KCNH2 Q12809 3/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ RORC P51449 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ NR1H3 Q13133 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
SCHEMBL16126254 0.92 PTGS2 (0.35) PTGS2PTGS1NR1H2SCN9AHSD11B1
SCHEMBL16126253 0.92 PTGS2 (0.34) PTGS2PTGS1NR1H2SCN9ARORC
SCHEMBL16126226 0.89 PTGS2 (0.35) PTGS2PTGS1NR1H2HSD11B1RORC
SCHEMBL20431132 0.89 PTGS2 (0.36) PTGS2PTGS1NR1H2KCNH2SCN9A
SCHEMBL16126728 0.88 NR1H2 (0.38) PTGS2PTGS1NR1H2KCNH2SCN9A
SCHEMBL16126599 0.88 NR1H2 (0.36) PTGS2PTGS1NR1H2KCNH2SCN9A
SCHEMBL16126355 0.87 PTGS2 (0.36) PTGS2PTGS1NR1H2HSD11B1RORC
SCHEMBL16126736 0.87 PTGS2 (0.36) PTGS2PTGS1NR1H2HSD11B1
SCHEMBL18110476 0.86 PTGS2 (0.35) PTGS2PTGS1NR1H2SCN9AHSD11B1
SCHEMBL20431120 0.86 PTGS2 (0.35) PTGS2PTGS1NR1H2KCNH2SCN9A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2967073-B9 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 — — EP claimed
EP-2967073-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-08-01 — — EP claimed
US-9751869-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-05 — — US claimed
US-20240293401-A1 COMBINATION THERAPY WITH AN LXR AGONIST AND AN INHIBITOR COMPOUND Asteroid Therapeutics (US) 2024-09-05 — — US disclosed
EP-2967073-B9 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 — — EP disclosed
EP-2967073-B9 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 — — EP disclosed
EP-2967073-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-08-01 — — EP disclosed
EP-2967073-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-08-01 — — EP disclosed
US-9751869-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-05 — — US disclosed
US-9751869-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-05 — — US disclosed
US-9751869-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-05 — — US disclosed
US-20160289222-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 — — US disclosed
US-20160289222-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 — — US disclosed
US-20160289222-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 — — US disclosed
WO-2014152738-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 — — 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 (2 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-20160289222-A1 LXR MODULATORS NR1H2, NR1H3, NR1H4 PTGS2 1088/4885PTGS1 774/4885NR1H2 1/4885
US-20240293401-A1 COMBINATION THERAPY WITH AN LXR AGONIST AND AN INHIBITOR COMPOUND NR1H2, NR1H3, NR1H4 PTGS2 2899/4885PTGS1 2750/4885NR1H2 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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