SCHEMBL16100415

SCHEMBL16100415

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.36
▸ RORC P51449 1/20 0.33
▸ NR1H2 P55055 6/20 0.33
▸ RXRA P19793 5/20 0.33
▸ NR1H3 Q13133 5/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ HSD11B1 P28845 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ CYP2C8 P10632 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
SCHEMBL18110476 0.94 PTGS2 (0.35) PTGS2RORCNR1H2RXRANR1H3
SCHEMBL16126319 0.92 PTGS2 (0.35) PTGS2PTGS1SCN9A
SCHEMBL16126355 0.91 PTGS2 (0.36) PTGS2RORCNR1H2RXRANR1H3
SCHEMBL16126728 0.91 NR1H2 (0.38) PTGS2NR1H2RXRANR1H3PTGS1
SCHEMBL16126243 0.90 PTGS2 (0.35) PTGS2RORCNR1H2RXRANR1H3
SCHEMBL20431120 0.90 PTGS2 (0.35) PTGS2RORCNR1H2RXRANR1H3
SCHEMBL16126226 0.90 PTGS2 (0.35) PTGS2RORCNR1H2RXRANR1H3
SCHEMBL20431132 0.88 PTGS2 (0.36) PTGS2RORCNR1H2RXRANR1H3
SCHEMBL16126240 0.86 PTGS2 (0.36) PTGS2RORCNR1H2RXRANR1H3
SCHEMBL16126481 0.86 PTGS2 (0.34) PTGS2RORCNR1H2RXRANR1H3

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
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
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
EP-2967073-A1 LXR MODULATORS Bristol-Myers Squibb Company (US) 2016-01-20 — — EP disclosed
WO-2014152738-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 — — WO 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 (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-20160289222-A1 LXR MODULATORS NR1H2, NR1H3, NR1H4 PTGS2 1088/4885RORC 44/4885NR1H2 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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