SCHEMBL12023800

SCHEMBL12023800

CC(C)C(=O)N1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S[C@H](C)[C@@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 14/20 0.41
▸ NR1H3 Q13133 9/20 0.38
▸ NR1H2 P55055 8/20 0.38
▸ NR1I2 O75469 3/20 0.36
▸ RORA P35398 1/20 0.36
▸ RORB Q92753 1/20 0.36
▸ MLYCD O95822 2/20 0.35

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
SCHEMBL3626253 0.92 BCHE (0.37) RORCNR1H3NR1H2NR1I2RORA
SCHEMBL3626249 0.92 BCHE (0.37) RORCNR1H3NR1H2NR1I2RORA
SCHEMBL13317202 0.92 BCHE (0.37) RORCNR1H3NR1H2NR1I2RORA
SCHEMBL3623596 0.92 BCHE (0.37) RORCNR1H3NR1H2NR1I2RORA
SCHEMBL3623599 0.92 BCHE (0.37) RORCNR1H3NR1H2NR1I2RORA
SCHEMBL3627829 0.84 RORC (0.43) RORCNR1H3NR1H2NR1I2MLYCD
SCHEMBL12023928 0.84 RORC (0.43) RORCNR1H3NR1H2NR1I2MLYCD
SCHEMBL3626859 0.79 RORC (0.44) RORCNR1H3NR1H2NR1I2RORA
SCHEMBL3624600 0.78 RORC (0.46) RORCNR1H3NR1H2NR1I2
SCHEMBL12024161 0.74 NR1H3 (0.39) RORCNR1H3NR1H2NR1I2RORA

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 6 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
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-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 66/4885NR1H3 2/4885NR1H2 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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