SCHEMBL3617833

SCHEMBL3617833

CC[C@H]1CN(C(=O)CCc2ccccc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 7/20 0.46
▸ RORC P51449 9/20 0.45
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NR1H3 Q13133 8/20 0.43
▸ NR1I2 O75469 6/20 0.43
▸ NR1H2 P55055 4/20 0.43
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL3617834 1.00 MLYCD (0.46) MLYCDRORCLMNAGAANR1H3
SCHEMBL3625398 0.90 RORC (0.46) RORCLMNAGAANR1H3NR1I2
SCHEMBL3625401 0.90 RORC (0.46) RORCLMNAGAANR1H3NR1I2
SCHEMBL3626237 0.86 RORC (0.43) RORCLMNAGAANR1H3NR1I2
SCHEMBL3626242 0.86 RORC (0.43) RORCLMNAGAANR1H3NR1I2
SCHEMBL3625677 0.85 RORC (0.48) RORCLMNAGAANR1H3NR1I2
SCHEMBL3625672 0.85 RORC (0.48) RORCLMNAGAANR1H3NR1I2
SCHEMBL3623348 0.85 LMNA (0.44) MLYCDRORCLMNAGAANR1H3
SCHEMBL3623345 0.85 LMNA (0.44) MLYCDRORCLMNAGAANR1H3
SCHEMBL3626697 0.85 RORC (0.45) MLYCDRORCLMNAGAANR1H3

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-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
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 MLYCD 3385/4885RORC 66/4885LMNA 784/4885

“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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