SCHEMBL480108

SCHEMBL480108

CCOC(=O)c1cc(Oc2ccc(Cl)c(C(C)C(O)(c3ccc(=O)n(C)c3)C(F)(F)F)c2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
HTT P42858 1/20 0.34
BRD4 O60885 1/20 0.34
TEAD2 Q15562 1/20 0.33
P2RX3 P56373 3/20 0.33
NR3C2 P08235 1/20 0.33
MET P08581 1/20 0.32
ALK Q9UM73 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
MLYCD O95822 1/20 0.32
CETP P11597 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.31
NR3C1 P04150 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
SCHEMBL754922 1.00 BAZ2B (0.41) BAZ2BBAZ2AMAP2K2MAP2K1MRGPRX4
SCHEMBL752328 0.94 BAZ2B (0.43) BAZ2BBAZ2AMAP2K2MAP2K1MRGPRX4
SCHEMBL480366 0.94 BAZ2B (0.43) BAZ2BBAZ2AMAP2K2MAP2K1MRGPRX4
SCHEMBL753316 0.90 MRGPRX4 (0.34) MRGPRX4BRD4P2RX3METALK
SCHEMBL734137 0.90 MRGPRX4 (0.34) MRGPRX4BRD4P2RX3METALK
SCHEMBL752343 0.85 MEN1 (0.34) BAZ2BBAZ2AMRGPRX4BRD4MAPT
SCHEMBL733020 0.85 MEN1 (0.34) BAZ2BBAZ2AMRGPRX4BRD4MAPT
SCHEMBL733354 0.85 P2RX3 (0.35) MRGPRX4BRD4P2RX3METALK
SCHEMBL480003 0.85 BAZ2B (0.44) BAZ2BBAZ2AMAP2K2MAP2K1MRGPRX4
SCHEMBL755604 0.85 P2RX3 (0.35) MRGPRX4BRD4P2RX3METALK

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 8 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 claimed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
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
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP 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 4457/4885MAP2K2 4243/4885

“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.