SCHEMBL16083455

SCHEMBL16083455

Cc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(C(C)O)nc2C)c(-c2ccc3c(c2)OC(F)(F)O3)o1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 10/20 0.37
▸ PTGS2 P35354 7/20 0.35
▸ NR1H3 Q13133 5/20 0.34
▸ RXRA P19793 4/20 0.34
▸ PTGS1 P23219 4/20 0.33
▸ PLK4 O00444 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL18157605 0.90 PTGS2 (0.39) NR1H2PTGS2NR1H3RXRAPTGS1
SCHEMBL16083610 0.88 NR1H2 (0.39) NR1H2PTGS2NR1H3RXRAPTGS1
SCHEMBL16083583 0.88 NR1H2 (0.39) NR1H2PTGS2NR1H3RXRAPTGS1
SCHEMBL19648310 0.88 NR1H2 (0.31) NR1H2
SCHEMBL16083580 0.87 NR1H2 (0.45) NR1H2PTGS2NR1H3RXRAPTGS1
SCHEMBL19648306 0.87 PTGS2 (0.36) NR1H2PTGS2NR1H3RXRAPTGS1
SCHEMBL19648143 0.86 PTGS2 (0.39) NR1H2PTGS2NR1H3RXRAPTGS1
SCHEMBL16083370 0.86 PTGS2 (0.36) NR1H2PTGS2NR1H3RXRAPTGS1
SCHEMBL16083456 0.85 NR1H2 (0.53) NR1H2PTGS2NR1H3RXRAPTGS1
SCHEMBL16083599 0.84 CFTR (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834542-B2 LXR modulators BRISTO-MYERS SQUIBB COMPANY (US) 2017-12-05 — — US claimed
EP-2968275-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-29 — — EP claimed
US-20240293401-A1 COMBINATION THERAPY WITH AN LXR AGONIST AND AN INHIBITOR COMPOUND Asteroid Therapeutics (US) 2024-09-05 — — US disclosed
US-9834542-B2 LXR modulators BRISTO-MYERS SQUIBB COMPANY (US) 2017-12-05 — — US disclosed
US-9834542-B2 LXR modulators BRISTO-MYERS SQUIBB COMPANY (US) 2017-12-05 — — US disclosed
EP-2968275-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-29 — — EP disclosed
EP-2968275-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-29 — — EP disclosed
US-20160304499-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-20 — — US disclosed
US-20160304499-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-20 — — US disclosed
US-20160304499-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-20 — — US disclosed
WO-2014144037-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-18 — — 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-20240293401-A1 COMBINATION THERAPY WITH AN LXR AGONIST AND AN INHIBITOR COMPOUND NR1H2, NR1H3, NR1H4 NR1H2 1/4885PTGS2 2899/4885NR1H3 2/4885
US-20160304499-A1 LXR MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885PTGS2 1661/4885NR1H3 2/4885

“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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