SCHEMBL753126

SCHEMBL753126

CCOC(=O)c1cc(Oc2ccc([C@H](C)[C@](O)(c3cc(C)c(=O)n(C)c3)C(F)(F)F)c(Cl)c2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
P2RX3 P56373 7/20 0.34
NR3C2 P08235 1/20 0.33
HTT P42858 1/20 0.33
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
TEAD2 Q15562 1/20 0.32
CYP1A2 P05177 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
JMJD6 Q6NYC1 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL480681 1.00 BAZ2B (0.37) BAZ2BBAZ2AP2RX3NR3C2HTT
SCHEMBL480476 0.93 BAZ2B (0.38) BAZ2BBAZ2AP2RX3NR3C2TEAD2
SCHEMBL754541 0.93 BAZ2B (0.38) BAZ2BBAZ2AP2RX3NR3C2TEAD2
SCHEMBL480623 0.91 P2RX3 (0.33) P2RX3MRGPRX4HIF1A
SCHEMBL752382 0.91 P2RX3 (0.33) P2RX3MRGPRX4HIF1A
SCHEMBL480608 0.86 P2RX3 (0.35) P2RX3
SCHEMBL755669 0.86 P2RX3 (0.35) P2RX3
SCHEMBL480129 0.86 P2RX3 (0.33) P2RX3HIF1A
SCHEMBL480737 0.86 P2RX3 (0.33) P2RX3HIF1A
SCHEMBL480726 0.86 P2RX3 (0.33) P2RX3HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 BAZ2B 4537/4885BAZ2A 4457/4885P2RX3 696/4885

“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.