SCHEMBL2503198

SCHEMBL2503198

CC(C)C1CC(=O)CCC1(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.35
PDE4D Q08499 1/20 0.34
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 2/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL18813449 0.74 AKR1B10 (0.30) GPBAR1
SCHEMBL18813492 0.74 AKR1B10 (0.30) GPBAR1
SCHEMBL17440223 0.72 THRB (0.35) GPBAR1LMNAKMT2ACYP3A4MAPT
SCHEMBL17440219 0.72 THRB (0.35) GPBAR1LMNAKMT2ACYP3A4MAPT
SCHEMBL17049004 0.72 MEN1 (0.33) GPBAR1KMT2ACYP3A4HSD17B10
SCHEMBL12488467 0.71
SCHEMBL7750053 0.70 GPBAR1 (0.31) GPBAR1CYP3A4
SCHEMBL18606003 0.69 PDE4D (0.36) GPBAR1PDE4DLMNAPDK1PDK2
SCHEMBL8670574 0.63 GPBAR1 (0.33) GPBAR1LMNATDP1KMT2ACYP3A4
SCHEMBL17621373 0.63 ATP1A1 (0.37) GPBAR1KMT2AHSD11B1CYP3A4MAPT

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
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
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US 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 GPBAR1 805/4885PDE4D 1144/4885LMNA 4848/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK GPBAR1 805/4885PDE4D 1144/4885LMNA 4848/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK GPBAR1 805/4885PDE4D 1144/4885LMNA 4848/4885

“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.