SCHEMBL474496

SCHEMBL474496

CCOC(=O)c1cc(Oc2ccc(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c(Cl)c2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
SLC5A1 P13866 2/20 0.31
SLC5A2 P31639 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30
BAZ2A Q9UIF9 1/20 0.30

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
SCHEMBL474561 0.94 USP2 (0.37) USP2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL15520695 0.92 ALDH1A1 (0.32) USP2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL474395 0.91 USP2 (0.37) USP2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL12163847 0.91 USP2 (0.37) USP2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL12163912 0.91 ALDH1A1 (0.34) USP2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL474279 0.91 ALDH1A1 (0.34) USP2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL474763 0.88 L3MBTL1 (0.33) USP2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL12164260 0.88 L3MBTL1 (0.33) USP2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL474506 0.87 ALDH1A1 (0.32) USP2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL2815930 0.87 ALDH1A1 (0.32) USP2HTTL3MBTL1ALDH1A1KDM4E

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-2411365-B1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-03-19 EP disclosed
US-20130172335-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-04 US disclosed
US-8450313-B2 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-05-28 US disclosed
US-8268820-B2 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HUNZIKER DANIEL (CH) 2012-09-13 US disclosed
EP-2411365-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
WO-2010108903-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 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 (3 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-20130172335-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R USP2 4222/4885HTT 1633/4885L3MBTL1 1354/4885
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R USP2 4305/4885HTT 1502/4885L3MBTL1 1417/4885
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R USP2 4222/4885HTT 1633/4885L3MBTL1 1354/4885

“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.