SCHEMBL3625125

SCHEMBL3625125

O=C(CCc1ccccc1)N1CCSc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.55
▸ POLB P06746 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ NR1I2 O75469 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ NR1H3 Q13133 1/20 0.47
▸ MLYCD O95822 8/20 0.46

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
SCHEMBL12023897 0.90 POLB (0.50) RORCPOLBL3MBTL1MLYCD
SCHEMBL3619476 0.89 RORC (0.57) RORCPOLBL3MBTL1NR1I2NR1H2
SCHEMBL3623583 0.80 NR1H3 (0.56) RORCNR1I2NR1H2NR1H3MLYCD
SCHEMBL3617833 0.80 MLYCD (0.46) RORCNR1I2NR1H2NR1H3MLYCD
SCHEMBL3617834 0.80 MLYCD (0.46) RORCNR1I2NR1H2NR1H3MLYCD
SCHEMBL14537965 0.77 RORC (0.51) RORCL3MBTL1NR1I2NR1H2NR1H3
SCHEMBL3626261 0.75 RORC (0.53) RORCNR1I2NR1H2NR1H3MLYCD
SCHEMBL3618022 0.74 ALDH1A1 (0.46) RORCNR1H2NR1H3
SCHEMBL3620207 0.73 RORC (0.51) RORCPOLBNR1I2NR1H2NR1H3
SCHEMBL14538205 0.72 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 12 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-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-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
EP-1951676-A2 LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 — — EP disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 — — WO 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 66/4885POLB 1505/4885L3MBTL1 1139/4885

“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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