SCHEMBL734565

SCHEMBL734565

COC(=O)CCN(C(=O)OCc1ccccc1)[C@H](C)CNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
ABCB1 P08183 2/20 0.41
IDO1 P14902 1/20 0.40
NTSR1 P30989 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
CTSS P25774 1/20 0.39
PPARA Q07869 1/20 0.39
CTSK P43235 2/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL30191444 0.82 SYK (0.60) SYKABCB1IDO1NTSR1MEN1
SCHEMBL1568739 0.81 L3MBTL1 (0.42) SYKABCB1L3MBTL1MAPTMAPK1
SCHEMBL30841405 0.79 SYK (0.45) SYKABCB1IDO1NTSR1MEN1
SCHEMBL1554885 0.78 SYK (0.51) SYKL3MBTL1MAPTCTSSCTSK
SCHEMBL4708300 0.78 SYK (0.53) SYKIDO1NTSR1MEN1KMT2A
SCHEMBL1568844 0.78 L3MBTL1 (0.42) SYKABCB1L3MBTL1MAPTCTSS
SCHEMBL1568840 0.78 L3MBTL1 (0.42) SYKABCB1L3MBTL1MAPTCTSS
SCHEMBL1844086 0.78 SYK (0.45) SYKABCB1MAPTCTSSPPARA
SCHEMBL13613734 0.76 SYK (0.44) SYKNTSR1MEN1KMT2AMAPT
SCHEMBL1569282 0.75 L3MBTL1 (0.42) SYKABCB1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2321285-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010012619-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 WO disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 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 (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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 SYK 1585/4885ABCB1 222/4885IDO1 1522/4885

“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.