SCHEMBL2019347

SCHEMBL2019347

CC1C(=O)CCC(C(=O)O)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TLR4 O00206 1/20 0.31
APLNR P35414 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
SCHEMBL7825318 0.78 DHODH (0.31) HSD11B1TLR4
SCHEMBL17172433 0.73 CA1 (0.34)
SCHEMBL23662945 0.71 SLC1A2 (0.43) HSD11B1SLC1A2SLC1A1APLNR
SCHEMBL25117220 0.71 SLC1A2 (0.43) HSD11B1SLC1A2SLC1A1APLNR
SCHEMBL14389636 0.69 HSD11B1 (0.41) HSD11B1SLC1A2SLC1A1APLNR
SCHEMBL15746998 0.69 HSD11B1 (0.41) HSD11B1SLC1A2SLC1A1APLNR
SCHEMBL1108298 0.69 HSD11B1 (0.41) HSD11B1SLC1A2SLC1A1APLNR
SCHEMBL29229941 0.68 SLC1A2 (0.41) HSD11B1SLC1A2SLC1A1APLNR
SCHEMBL190832 0.67 TLR4 (0.34) HSD11B1TLR4APLNR
SCHEMBL27761884 0.67 TLR4 (0.34) HSD11B1TLR4APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO 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 (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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK HSD11B1 2589/4885SLC1A2 3388/4885SLC1A1 3444/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK HSD11B1 2589/4885SLC1A2 3388/4885SLC1A1 3444/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK HSD11B1 2589/4885SLC1A2 3388/4885SLC1A1 3444/4885

“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.