SCHEMBL753066

SCHEMBL753066

CCOC(=O)c1cc(-c2ccc([C@H](C)[C@](O)(c3ccc(=O)n(CC)c3)C(F)(F)F)c(Cl)c2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
POLB P06746 1/20 0.36
TEAD2 Q15562 1/20 0.36
LMNA P02545 1/20 0.36
NR3C2 P08235 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 2/20 0.34
BDKRB1 P46663 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPA Q15257 1/20 0.33
HTT P42858 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL480897 1.00 BAZ2B (0.38) BAZ2BBAZ2APOLBTEAD2LMNA
SCHEMBL754461 0.92 BAZ2B (0.44) BAZ2BBAZ2ATEAD2NR3C2KDM4E
SCHEMBL480003 0.92 BAZ2B (0.44) BAZ2BBAZ2ATEAD2NR3C2KDM4E
SCHEMBL753067 0.91 PDE4B (0.36) MRGPRX4PTGDR2
SCHEMBL734560 0.91 PDE4B (0.36) MRGPRX4PTGDR2
SCHEMBL15789696 0.87 ALK (0.33) POLBBDKRB1PTGDR2
SCHEMBL754467 0.86 KDM4E (0.37) NR3C2KDM4EPKMBDKRB1MRGPRX4
SCHEMBL733615 0.86 KDM4E (0.37) NR3C2KDM4EPKMBDKRB1MRGPRX4
SCHEMBL15789698 0.85 ALK (0.34) BDKRB1PTGDR2
SCHEMBL753303 0.85 RARB (0.36) HTTPTGDR2

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 4457/4885POLB 3224/4885

“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.