SCHEMBL2924749

SCHEMBL2924749

CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(P(=O)(OCC)OCC)c2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
P2RY12 Q9H244 4/20 0.47
ADORA1 P30542 1/20 0.46
P2RX7 Q99572 6/20 0.46
MAPK1 P28482 1/20 0.46
MC4R P32245 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
PABPC1 P11940 1/20 0.43
PLG P00747 1/20 0.43

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
SCHEMBL2924752 1.00 KMT2A (0.48) KMT2AP2RY12ADORA1P2RX7MAPK1
SCHEMBL694636 0.89 P2RY12 (0.51) KMT2AP2RY12ADORA1P2RX7MAPK1
SCHEMBL694635 0.89 P2RY12 (0.51) KMT2AP2RY12ADORA1P2RX7MAPK1
SCHEMBL3059101 0.86 CTSS (0.47)
SCHEMBL3059098 0.86 CTSS (0.47)
SCHEMBL2922464 0.84 TSHR (0.44) P2RY12
SCHEMBL2921337 0.83 ACE (0.56) KMT2AMAPK1
SCHEMBL2921342 0.83 ACE (0.56) KMT2AMAPK1
SCHEMBL693107 0.83 P2RY12 (0.54) KMT2AP2RY12P2RX7HRH2HRH1
SCHEMBL2921334 0.83 P2RY12 (0.54) KMT2AP2RY12P2RX7HRH2HRH1

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-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
EP-2225253-B1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-27 EP disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 US disclosed
EP-2225253-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 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-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 KMT2A 4163/4885P2RY12 1/4885ADORA1 15/4885

“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.