SCHEMBL16126406

SCHEMBL16126406

Cc1nc(-c2cc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)ccc2-n2nc(C(F)(F)F)cc2C)c(-c2ccc3c(c2)OC(F)(F)O3)o1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 12/20 0.49
▸ RXRA P19793 10/20 0.38
▸ NR1H3 Q13133 10/20 0.38
▸ NR1I2 O75469 2/20 0.38
▸ F10 P00742 5/20 0.34
▸ F2 P00734 1/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ NLRP3 Q96P20 1/20 0.33

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
SCHEMBL16126282 0.95 NR1H2 (0.46) NR1H2RXRANR1H3NR1I2F10
SCHEMBL16126499 0.95 NR1H2 (0.48) NR1H2RXRANR1H3NR1I2F10
SCHEMBL16126407 0.91 NR1H2 (0.39) NR1H2RXRANR1H3F10F2
SCHEMBL18125827 0.91 NR1H2 (0.39) NR1H2
SCHEMBL16126651 0.90 NR1H2 (0.45) NR1H2RXRANR1H3NR1I2F10
SCHEMBL16083753 0.88 NR1H2 (0.64) NR1H2RXRANR1H3NR1I2PTGS1
SCHEMBL18125846 0.86 NR1H2 (0.39) NR1H2RXRANR1H3NR1I2
SCHEMBL16126264 0.85 PTGS2 (0.36) NR1H2RXRANR1H3F10F2
SCHEMBL16126383 0.85 NR1H2 (0.67) NR1H2RXRANR1H3NR1I2F10
SCHEMBL18125791 0.85 NR1H2 (0.35) NR1H2

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 10 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
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-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 (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 NR1H2 1/4885RXRA 21/4885NR1H3 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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