SCHEMBL2597798

SCHEMBL2597798

CC(C)(C)OC(=O)NCC(OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.63
NTSR1 P30989 1/20 0.48
IDO1 P14902 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
MAPK1 P28482 2/20 0.46
CTSS P25774 2/20 0.46
PPARA Q07869 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
GPR55 Q9Y2T6 1/20 0.45
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2598790 0.90 SYK (0.59) SYKNTSR1IDO1L3MBTL1MAPT
SCHEMBL12471858 0.87 SYK (0.57) SYKNTSR1IDO1MAPTCTSS
SCHEMBL1627707 0.85 SYK (0.67) SYKNTSR1IDO1L3MBTL1MAPT
SCHEMBL12184023 0.84 SYK (0.50) SYKNTSR1IDO1L3MBTL1MAPT
SCHEMBL29879918 0.83 SYK (0.65) SYKNTSR1IDO1L3MBTL1MAPT
SCHEMBL17878732 0.83 SYK (0.65) SYKNTSR1IDO1L3MBTL1MAPT
SCHEMBL5525923 0.83 CTSS (0.61) SYKCTSS
SCHEMBL19608402 0.83 SYK (0.60) SYKNTSR1IDO1MAPTPOLB
SCHEMBL12183918 0.82 SYK (0.52) SYKNTSR1IDO1CTSSPPARA
SCHEMBL9219395 0.82 SYK (0.63) SYKNTSR1IDO1L3MBTL1MAPT

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
EP-2571359-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 US disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 US disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 US disclosed
WO-2011146354-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP SYK 4846/4885NTSR1 3479/4885IDO1 1877/4885

“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.