SCHEMBL85522

SCHEMBL85522

CCOC(=O)[C@H]1OCO[C@@H]1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.46
PTPN1 P18031 2/20 0.46
PPP1CC P36873 1/20 0.46
TSHR P16473 1/20 0.45
HCAR2 Q8TDS4 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5719777 1.00 PPM1B (0.46) PPM1BPTPN1PPP1CCTSHRHCAR2
SCHEMBL16402657 1.00 PPM1B (0.46) PPM1BPTPN1PPP1CCTSHRHCAR2
SCHEMBL7203762 0.92 TSHR (0.46) PPM1BPTPN1PPP1CCTSHRLMNA
SCHEMBL85862 0.92 TSHR (0.46) PPM1BPTPN1PPP1CCTSHRLMNA
SCHEMBL7209322 0.92 TSHR (0.46) PPM1BPTPN1PPP1CCTSHRLMNA
SCHEMBL17145410 0.82 TSHR (0.42) PPM1BPTPN1PPP1CCTSHRLMNA
SCHEMBL1238213 0.78 TSHR (0.53) PPM1BPTPN1PPP1CCTSHRHCAR2
SCHEMBL1806931 0.78 TSHR (0.53) PPM1BPTPN1PPP1CCTSHRHCAR2
SCHEMBL4733428 0.78 PPM1B (0.41) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL29234725 0.78 TSHR (0.53) PPM1BPTPN1PPP1CCTSHRHCAR2

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-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 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 (2 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX PPM1B 3861/4885PTPN1 2751/4885PPP1CC 4612/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB PPM1B 2487/4885PTPN1 1327/4885PPP1CC 3834/4885

“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.