SCHEMBL3621256

SCHEMBL3621256

C[C@@H](C(=O)N1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2SCC1c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 15/20 0.42
▸ MITF O75030 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NR1H3 Q13133 5/20 0.38
▸ NR1H2 P55055 4/20 0.38
▸ NR1I2 O75469 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ RORA P35398 1/20 0.36
▸ RORB Q92753 1/20 0.36
▸ GCKR Q14397 1/20 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
SCHEMBL3621259 1.00 RORC (0.42) RORCMITFKMT2ATDP1NR1H3
SCHEMBL3621262 1.00 RORC (0.42) RORCMITFKMT2ATDP1NR1H3
SCHEMBL3626859 0.91 RORC (0.44) RORCMITFKMT2ATDP1NR1H3
SCHEMBL13317202 0.81 BCHE (0.37) RORCNR1H3NR1H2NR1I2BCHE
SCHEMBL3623596 0.81 BCHE (0.37) RORCNR1H3NR1H2NR1I2BCHE
SCHEMBL3626253 0.81 BCHE (0.37) RORCNR1H3NR1H2NR1I2BCHE
SCHEMBL3626249 0.81 BCHE (0.37) RORCNR1H3NR1H2NR1I2BCHE
SCHEMBL3623599 0.81 BCHE (0.37) RORCNR1H3NR1H2NR1I2BCHE
SCHEMBL3625517 0.81 NR1H3 (0.46) RORCNR1H3NR1H2NR1I2
SCHEMBL3625518 0.81 NR1H3 (0.46) RORCNR1H3NR1H2NR1I2

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 66/4885MITF 2962/4885KMT2A 492/4885

“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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