SCHEMBL694815

SCHEMBL694815

CCOC(=O)N1CCN(C(=O)C(Cc2ccc(I)cc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.59
KMT2A Q03164 2/20 0.50
ADORA1 P30542 1/20 0.50
MAPK1 P28482 1/20 0.49
P2RY12 Q9H244 2/20 0.47
HRH2 P25021 3/20 0.47
HRH1 P35367 3/20 0.47
LMNA P02545 1/20 0.45
PABPC1 P11940 1/20 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
SCHEMBL694814 1.00 P2RX7 (0.59) P2RX7KMT2AADORA1MAPK1P2RY12
SCHEMBL693690 0.91 P2RX7 (0.57) P2RX7KMT2AMAPK1P2RY12HRH2
SCHEMBL719186 0.91 P2RX7 (0.57) P2RX7KMT2AMAPK1P2RY12HRH2
SCHEMBL2586086 0.89 LMNA (0.52) P2RX7KMT2AADORA1MAPK1P2RY12
SCHEMBL2586090 0.89 LMNA (0.52) P2RX7KMT2AADORA1MAPK1P2RY12
SCHEMBL4419865 0.88 P2RX7 (0.54) P2RX7KMT2AMAPK1HRH2HRH1
SCHEMBL15083273 0.87 P2RX7 (0.54) P2RX7KMT2AMAPK1HRH2HRH1
SCHEMBL2581610 0.87 P2RX7 (0.61) P2RX7KMT2AADORA1MAPK1HRH2
SCHEMBL2581609 0.87 P2RX7 (0.61) P2RX7KMT2AADORA1MAPK1HRH2
SCHEMBL694636 0.85 P2RY12 (0.51) P2RX7KMT2AADORA1MAPK1P2RY12

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-8664203-B2 Thiazole derivatives and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-04 US disclosed
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-24 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

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-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 P2RX7 15/4885KMT2A 4519/4885ADORA1 50/4885
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 P2RX7 15/4885KMT2A 4528/4885ADORA1 50/4885

“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.