SCHEMBL693107

SCHEMBL693107

CCCCOC(=O)N1CCN(C(=O)C(Cc2ccc(P(=O)(OCC)OCC)cc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.54
HRH2 P25021 6/20 0.49
HRH1 P35367 6/20 0.49
KMT2A Q03164 2/20 0.45
P2RX7 Q99572 7/20 0.45

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
SCHEMBL2921334 1.00 P2RY12 (0.54) P2RY12HRH2HRH1KMT2AP2RX7
SCHEMBL694635 0.93 P2RY12 (0.51) P2RY12HRH2HRH1KMT2AP2RX7
SCHEMBL694636 0.93 P2RY12 (0.51) P2RY12HRH2HRH1KMT2AP2RX7
SCHEMBL3046126 0.86 HRH2 (0.41) P2RY12HRH2HRH1
SCHEMBL719186 0.86 P2RX7 (0.57) P2RY12HRH2HRH1KMT2AP2RX7
SCHEMBL693690 0.86 P2RX7 (0.57) P2RY12HRH2HRH1KMT2AP2RX7
SCHEMBL523557 0.86 HRH2 (0.59) P2RY12HRH2HRH1KMT2AP2RX7
SCHEMBL523558 0.86 HRH2 (0.59) P2RY12HRH2HRH1KMT2AP2RX7
SCHEMBL2924752 0.83 KMT2A (0.48) P2RY12HRH2HRH1KMT2AP2RX7
SCHEMBL2924749 0.83 KMT2A (0.48) P2RY12HRH2HRH1KMT2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206271-B2 Fully backbone degradable and functionalizable polymers derived from the ring-opening metathesis polymerization (ROMP) WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-12-08 US disclosed
US-8664203-B2 Thiazole derivatives and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-04 US disclosed
US-20130281644-A1 Fully Backbone Degradable and Functionalizable Polymers Derived from the Ring-Opening Metathesis Polymerization (ROMP) WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-24 US disclosed
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-24 US disclosed
US-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
US-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-01 US disclosed
EP-2421859-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-02-29 EP disclosed
WO-2010122504-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-28 WO 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 (3 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 P2RY12 1/4885HRH2 604/4885HRH1 949/4885
US-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 P2RY12 1/4885HRH2 324/4885HRH1 738/4885
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 P2RY12 1/4885HRH2 297/4885HRH1 749/4885

“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.