SCHEMBL2708044

SCHEMBL2708044

COC(=O)C1OCCSC1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.33
BRD4 O60885 1/20 0.32
CYP1A2 P05177 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HIF1A Q16665 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3112694 0.72 ALDH1A1 (0.35) KMT2ABRD4CYP1A2ALDH1A1HIF1A
SCHEMBL2709751 0.69 SLC6A3 (0.34) KMT2ABRD4ALDH1A1
SCHEMBL31079450 0.68 BRD4 (0.32) BRD4CYP1A2HIF1A
SCHEMBL4898716 0.67
SCHEMBL2710718 0.62 MAP2K1 (0.33) KMT2ABRD4CYP1A2HIF1A
SCHEMBL3550776 0.61
SCHEMBL28108021 0.61 PPM1B (0.38) KMT2ABRD4ALDH1A1
SCHEMBL7964375 0.60 BRD4 (0.34) KMT2ABRD4CYP1A2ALDH1A1HIF1A
SCHEMBL28601788 0.59
SCHEMBL28589967 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445346-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2012-05-02 EP disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
WO-2010151601-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-29 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 (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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR KMT2A 4008/4885GAA 3628/4885USP2 4429/4885

“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.