SCHEMBL3627243

SCHEMBL3627243

CC[C@H]1CN(C(=O)Cc2ccc(OCc3ccccc3)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ RORC P51449 12/20 0.41
▸ NR1H3 Q13133 9/20 0.40
▸ NR1H2 P55055 5/20 0.40
▸ NR1I2 O75469 5/20 0.40
▸ YAP1 P46937 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PDGFRA P16234 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38

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
SCHEMBL3627248 1.00 FAAH (0.43) FAAHLMNAGAARORCNR1H3
SCHEMBL3625398 0.91 RORC (0.46) LMNAGAARORCNR1H3NR1H2
SCHEMBL3623612 0.88 RORC (0.45) LMNAGAARORCNR1H3NR1H2
SCHEMBL3623615 0.88 RORC (0.45) LMNAGAARORCNR1H3NR1H2
SCHEMBL3626237 0.85 RORC (0.43) LMNAGAARORCNR1H3NR1H2
SCHEMBL3626242 0.85 RORC (0.43) LMNAGAARORCNR1H3NR1H2
SCHEMBL3625760 0.85 MLYCD (0.47) LMNAGAARORCNR1H3NR1H2
SCHEMBL3625757 0.85 MLYCD (0.47) LMNAGAARORCNR1H3NR1H2
SCHEMBL3623625 0.84 RORC (0.43) LMNAGAARORCNR1H3NR1H2
SCHEMBL3623629 0.84 RORC (0.43) LMNAGAARORCNR1H3NR1H2

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 9 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
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 FAAH 1296/4885LMNA 784/4885GAA 3816/4885

“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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