SCHEMBL474477

SCHEMBL474477

CCN1C(=O)COc2ccc(C(O)(C(C)c3ccc(OC)cc3Cl)C(F)(F)F)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SLC5A1 P13866 3/20 0.40
SLC5A2 P31639 3/20 0.40
POLB P06746 1/20 0.38
CBX7 O95931 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDYL Q9Y232 1/20 0.37
CDY1; CDY1B Q9Y6F8 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2817411 0.90 ALOX15 (0.39) ALOX15USP2HTTALDH1A1L3MBTL1
SCHEMBL474480 0.90 ALDH1A1 (0.40) USP2HTTALDH1A1L3MBTL1SLC5A1
SCHEMBL474572 0.89 ALDH1A1 (0.42) USP2HTTALDH1A1L3MBTL1SLC5A1
SCHEMBL474425 0.89 HTT (0.35) ALOX15USP2HTTALDH1A1L3MBTL1
SCHEMBL2814833 0.85 USP2 (0.39) ALOX15USP2HTTALDH1A1L3MBTL1
SCHEMBL2817251 0.84 USP2 (0.39) ALOX15USP2HTTALDH1A1L3MBTL1
SCHEMBL474588 0.84 P2RX3 (0.36) ALOX15USP2HTTALDH1A1L3MBTL1
SCHEMBL15520272 0.84 ALDH1A1 (0.41) USP2HTTALDH1A1L3MBTL1SLC5A1
SCHEMBL474391 0.84 ALDH1A1 (0.37) USP2HTTALDH1A1L3MBTL1SLC5A1
SCHEMBL12342524 0.84 ALDH1A1 (0.37) USP2HTTALDH1A1L3MBTL1SLC5A1

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 ALOX15 1296/4885USP2 4222/4885HTT 1633/4885
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R ALOX15 1539/4885USP2 4305/4885HTT 1502/4885
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R ALOX15 1296/4885USP2 4222/4885HTT 1633/4885

“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.