SCHEMBL3626253

SCHEMBL3626253

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ RORC P51449 11/20 0.37
▸ NR1H3 Q13133 11/20 0.36
▸ NR1H2 P55055 10/20 0.36
▸ RORA P35398 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ NR1I2 O75469 2/20 0.34
▸ MLYCD O95822 1/20 0.34

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
SCHEMBL13317202 1.00 BCHE (0.37) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL3626249 1.00 BCHE (0.37) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL3623599 1.00 BCHE (0.37) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL3623596 1.00 BCHE (0.37) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL12023800 0.92 RORC (0.41) RORCNR1H3NR1H2RORARORB
SCHEMBL12023928 0.82 RORC (0.43) RORCNR1H3NR1H2NR1I2MLYCD
SCHEMBL3627829 0.82 RORC (0.43) RORCNR1H3NR1H2NR1I2MLYCD
SCHEMBL3621256 0.81 RORC (0.42) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL3621259 0.81 RORC (0.42) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL3621262 0.81 RORC (0.42) BCHEHTR1AADRB3HTR2AHTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 BCHE 4223/4885HTR1A 884/4885ADRB3 62/4885

“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.

Send feedback