SCHEMBL1733858

SCHEMBL1733858

CCOC(=O)[C@@H](NC(=O)OCc1ccccc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.51
CTSS P25774 5/20 0.51
SYK P43405 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
CTRB1 P17538 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.47
CTSK P43235 4/20 0.47
CTSB P07858 3/20 0.47
ELANE P08246 1/20 0.46

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
SCHEMBL1733855 1.00 CTSL (0.51) CTSLCTSSSYKMEN1KMT2A
SCHEMBL17809612 0.86 SYK (0.53) CTSLCTSSSYKATMCTRB1
SCHEMBL758144 0.86 CTRB1 (0.54) CTSLCTSSSYKMEN1KMT2A
SCHEMBL17803400 0.85 SYK (0.49) CTSLCTSSSYKATMCTRB1
SCHEMBL25517689 0.84 SYK (0.54) CTSLCTSSSYKATMCTRB1
SCHEMBL29231568 0.84 CTSL (0.54) CTSLCTSSMEN1KMT2AATM
SCHEMBL15546973 0.83 CTSL (0.52) CTSLCTSSSYKMEN1KMT2A
SCHEMBL18455295 0.82 CTSL (0.53) CTSLCTSSSYKCTSKCTSB
SCHEMBL3211516 0.82 CTSL (0.56) CTSLCTSSSYKCTSKCTSB
SCHEMBL3211529 0.82 CTSL (0.56) CTSLCTSSSYKCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251149-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Merck Sharp & Dohme LLC (US) 2023-10-04 EP disclosed
WO-2022115301-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-02 WO disclosed
EP-2763975-B1 3-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8987456-B2 3-pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20140303206-A1 3-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-10-09 US disclosed
EP-2763975-A1 3-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (Syk) INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-08-13 EP disclosed
EP-2231143-B1 5H-pyrido[4,3-b]indoles as INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-07-03 EP disclosed
US-8431569-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-30 US disclosed
WO-2013052393-A1 3-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (Syk) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20100267709-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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 (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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 CTSL 715/4885CTSS 417/4885SYK 3542/4885
US-20100267709-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 CTSL 3805/4885CTSS 4096/4885SYK 220/4885
US-20140303206-A1 3-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK CTSL 2658/4885CTSS 1287/4885SYK 1/4885

“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.