SCHEMBL3626980

SCHEMBL3626980

COc1ccc(C2CSc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2C(=O)C(C)C)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 15/20 0.39
▸ NR1I2 O75469 3/20 0.36
▸ NR1H2 P55055 3/20 0.36
▸ NR1H3 Q13133 3/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAOB P27338 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
SCHEMBL3619490 0.86 RORC (0.42) RORCNR1I2NR1H2NR1H3ALDH1A1
SCHEMBL3626859 0.84 RORC (0.44) RORCNR1I2NR1H2NR1H3
SCHEMBL12024131 0.78 KDM4E (0.36) RORCALDH1A1GAA
SCHEMBL3621259 0.76 RORC (0.42) RORCNR1I2NR1H2NR1H3
SCHEMBL3621262 0.76 RORC (0.42) RORCNR1I2NR1H2NR1H3
SCHEMBL3621256 0.76 RORC (0.42) RORCNR1I2NR1H2NR1H3
SCHEMBL3625569 0.72 RORC (0.45) RORCNR1I2NR1H2NR1H3ALDH1A1
SCHEMBL3628334 0.71 MITF (0.41) RORCNR1I2NR1H2NR1H3ALDH1A1
SCHEMBL3625107 0.68 MITF (0.51) RORCNR1I2NR1H2NR1H3
SCHEMBL3626261 0.68 RORC (0.53) RORCNR1I2NR1H2NR1H3

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-2392567-B1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
EP-2392567-A1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS Bristol-Myers Squibb Company (US) 2011-12-07 — — EP disclosed
EP-2392567-A1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS Bristol-Myers Squibb Company (US) 2011-12-07 — — EP disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 — — WO disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — 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-20070093470-A1 LXR modulators NR1H2, NR1H3, RXRB RORC 66/4885NR1I2 11/4885NR1H2 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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