SCHEMBL754461

SCHEMBL754461

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
TEAD2 Q15562 1/20 0.38
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
NR3C2 P08235 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPA Q15257 1/20 0.35
PKM P14618 1/20 0.35
BDKRB1 P46663 2/20 0.34
HTT P42858 1/20 0.33
MLYCD O95822 1/20 0.33
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL480003 1.00 BAZ2B (0.44) BAZ2BBAZ2ATEAD2MAP2K2MAP2K1
SCHEMBL480897 0.92 BAZ2B (0.38) BAZ2BBAZ2ATEAD2MRGPRX4NR3C2
SCHEMBL753066 0.92 BAZ2B (0.38) BAZ2BBAZ2ATEAD2MRGPRX4NR3C2
SCHEMBL754902 0.89 DPP4 (0.34) MRGPRX4F9
SCHEMBL480062 0.89 DPP4 (0.34) MRGPRX4F9
SCHEMBL15789793 0.87 BAZ2B (0.35) BAZ2BBAZ2ATEAD2MRGPRX4PTPRC
SCHEMBL754922 0.85 BAZ2B (0.41) BAZ2BBAZ2ATEAD2MAP2K2MAP2K1
SCHEMBL480108 0.85 BAZ2B (0.41) BAZ2BBAZ2ATEAD2MAP2K2MAP2K1
SCHEMBL752282 0.84 KDM4E (0.36) BAZ2BBAZ2AMRGPRX4PKMBDKRB1
SCHEMBL732326 0.84 KDM4E (0.36) BAZ2BBAZ2AMRGPRX4PKMBDKRB1

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 4457/4885TEAD2 2600/4885

“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.