SCHEMBL952878

SCHEMBL952878

CCOC(=O)c1cc(OCC(=O)O)n(-c2ccccc2)n1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.72
GAA P10253 1/20 0.72
MAPT P10636 4/20 0.67
THRB P10828 1/20 0.65
TP53 P04637 3/20 0.65
TDP1 Q9NUW8 2/20 0.64
MEN1 O00255 2/20 0.64
POLB P06746 1/20 0.64
ALDH1A1 P00352 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
LMNA P02545 1/20 0.62
ALOX12 P18054 1/20 0.58
PDE4D Q08499 1/20 0.52
CA9 Q16790 1/20 0.52
P2RY12 Q9H244 1/20 0.51

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
SCHEMBL952370 0.87 KMT2A (0.62) KMT2AGAAMAPTTHRBTP53
SCHEMBL7268 0.82 KMT2A (0.68) KMT2AGAAMAPTTHRBTP53
SCHEMBL3299372 0.82 KMT2A (0.68) KMT2AGAAMAPTTHRBTP53
SCHEMBL28625965 0.81 KMT2A (0.67) KMT2AGAAMAPTTHRBTP53
SCHEMBL951495 0.81 P2RY12 (0.61) P2RY12
SCHEMBL951496 0.81 P2RY12 (0.61) P2RY12
SCHEMBL22896893 0.80 KMT2A (0.65) KMT2AGAAMAPTTHRBTP53
SCHEMBL2835335 0.80 KMT2A (0.65) KMT2AGAAMAPTTHRBTP53
SCHEMBL2317433 0.80 MDM2 (0.64) KMT2AGAAMAPTTHRBTP53
SCHEMBL3904503 0.80 KMT2A (0.65) KMT2AGAAMAPTTHRBTP53

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-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 KMT2A 2872/4885GAA 1779/4885MAPT 4875/4885

“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.