SCHEMBL876236

SCHEMBL876236

CCC(CC)(C(=O)O)C(=O)ONC(=O)CC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL1443640 0.78 PKM (0.32) MEN1KMT2ACYP1A2
SCHEMBL14861290 0.76 CTSK (0.38) MEN1KMT2ACYP1A2CYP2C19GAA
SCHEMBL16989821 0.74 PTPN1 (0.30)
SCHEMBL221073 0.72 PTPN1 (0.40) MEN1KMT2ACYP1A2GAA
SCHEMBL12503912 0.71 HPGD (0.35) MEN1KMT2AHPGDRAB9ACYP1A2
SCHEMBL8580311 0.69 PKM (0.32)
SCHEMBL6130103 0.69 MEN1 (0.34) MEN1KMT2ACYP1A2
SCHEMBL11533199 0.68 MEN1 (0.36) MEN1KMT2AHPGDRAB9ACYP1A2
SCHEMBL9437629 0.67 PKM (0.34) MEN1KMT2AMAPT
SCHEMBL16989815 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184294-A1 Pyrimidones for Treatment of Potassium Channel Related Diseases PFIZER INC. (US) 2013-07-18 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 (1 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-20130184294-A1 Pyrimidones for Treatment of Potassium Channel Related Diseases KCNQ5, KCNQ1, KCNQ3 MEN1 1516/4885KMT2A 1085/4885HPGD 791/4885

“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.