SCHEMBL2039281

SCHEMBL2039281

C=C(C)COC(C)(C)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
DGAT1 O75907 1/20 0.34
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL2015627 0.83 MGAM (0.37) ALDH1A1DGAT1TP53RAB9AMGAM
SCHEMBL24034051 0.82 DGAT1 (0.38) DGAT1
SCHEMBL24034329 0.80 CYP4F2 (0.47) ALDH1A1
SCHEMBL4128811 0.78 TSHR (0.39) DGAT1TP53RAB9A
SCHEMBL445544 0.73 DGAT1 (0.39) ALDH1A1DGAT1TP53RAB9AMGAM
SCHEMBL9862060 0.72 GAA (0.31) GAA
SCHEMBL11535537 0.71 DGAT1 (0.34) DGAT1TP53RAB9A
SCHEMBL4119963 0.71 DGAT1 (0.34) ALDH1A1DGAT1TP53RAB9A
SCHEMBL10359638 0.70 CYP4F2 (0.41) ALDH1A1DGAT1TP53RAB9A
SCHEMBL15366650 0.70 TET2 (0.34) ALDH1A1

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 7 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-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 ALDH1A1 1614/4885DGAT1 4324/4885TP53 1516/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK ALDH1A1 1614/4885DGAT1 4324/4885TP53 1516/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK ALDH1A1 1614/4885DGAT1 4324/4885TP53 1516/4885

“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.