SCHEMBL2017042

SCHEMBL2017042

CC1(C)CC(=O)CC[C@@H]1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
HSD11B1 P28845 2/20 0.32
APLNR P35414 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2017466 1.00 SLC1A2 (0.34) SLC1A2SLC1A1HSD11B1APLNRMEN1
SCHEMBL17110217 0.84 AKR1B10 (0.36) MEN1KMT2A
SCHEMBL2505350 0.79 ATM (0.37) KMT2AHTT
SCHEMBL2013946 0.79 ATM (0.37) KMT2AHTT
SCHEMBL1536024 0.79 MEN1 (0.35) SLC1A2SLC1A1HSD11B1APLNRMEN1
SCHEMBL17048890 0.75 PSEN1 (0.39) MEN1KMT2AHTT
SCHEMBL17118118 0.75 PSEN1 (0.39) MEN1KMT2AHTT
SCHEMBL19759347 0.75 MAPK1 (0.39)
SCHEMBL1642593 0.74 CYP3A4 (0.41) MEN1KMT2A
SCHEMBL16612692 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2707357-B1 PYRIDYL AMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-18 EP disclosed
EP-2513098-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-09 EP disclosed
US-9120785-B2 Pyridyl aminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-01 US disclosed
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-20140100250-A1 PYRIDYL AMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-04-10 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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 (4 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK SLC1A2 3388/4885SLC1A1 3444/4885HSD11B1 2589/4885
US-20140100250-A1 PYRIDYL AMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK SLC1A2 4277/4885SLC1A1 4016/4885HSD11B1 3432/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK SLC1A2 3388/4885SLC1A1 3444/4885HSD11B1 2589/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK SLC1A2 3388/4885SLC1A1 3444/4885HSD11B1 2589/4885

“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.