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SCHEMBL2815546

SCHEMBL2815546

CCN1C(=O)COc2ccc(C(O)(C(C)c3ccc(-c4ccc(Cl)cc4C(=O)OC)cc3Cl)C(F)(F)F)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SLC5A1 P13866 3/20 0.40
▸ SLC5A2 P31639 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ BDKRB1 P46663 1/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ KMO O15229 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL474526 0.95 USP2 (0.42) USP2HTTTSHRNPSR1SLC5A1
SCHEMBL474632 0.92 USP2 (0.42) USP2HTTTSHRNPSR1SLC5A1
SCHEMBL2814833 0.91 USP2 (0.39) USP2HTTTSHRNPSR1SLC5A1
SCHEMBL2817251 0.90 USP2 (0.39) USP2HTTTSHRNPSR1SLC5A1
SCHEMBL474578 0.90 TSHR (0.36) USP2HTTTSHRNPSR1SLC5A1
SCHEMBL2817146 0.89 USP2 (0.38) USP2HTTTSHRNPSR1SLC5A1
SCHEMBL474507 0.89 HTT (0.40) USP2HTTTSHRNPSR1SLC5A1
SCHEMBL474537 0.86 USP2 (0.41) USP2HTTTSHRNPSR1SLC5A1
SCHEMBL2815636 0.85 HTT (0.43) USP2HTTTSHRNPSR1SLC5A1
SCHEMBL474545 0.84 ALDH1A1 (0.42) USP2HTTTSHRNPSR1SLC5A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1633/4885TSHR 138/4885
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R USP2 4305/4885HTT 1502/4885TSHR 136/4885
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R USP2 4222/4885HTT 1633/4885TSHR 138/4885

“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.