SCHEMBL719186

SCHEMBL719186

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.57
HRH2 P25021 6/20 0.53
HRH1 P35367 6/20 0.53
P2RY12 Q9H244 2/20 0.50
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL693690 1.00 P2RX7 (0.57) P2RX7HRH2HRH1P2RY12KMT2A
SCHEMBL694814 0.91 P2RX7 (0.59) P2RX7HRH2HRH1P2RY12KMT2A
SCHEMBL694815 0.91 P2RX7 (0.59) P2RX7HRH2HRH1P2RY12KMT2A
SCHEMBL523558 0.90 HRH2 (0.59) P2RX7HRH2HRH1P2RY12KMT2A
SCHEMBL523557 0.90 HRH2 (0.59) P2RX7HRH2HRH1P2RY12KMT2A
SCHEMBL2921334 0.86 P2RY12 (0.54) P2RX7HRH2HRH1P2RY12KMT2A
SCHEMBL693107 0.86 P2RY12 (0.54) P2RX7HRH2HRH1P2RY12KMT2A
SCHEMBL14051409 0.84 ITGB3 (0.52) P2RX7
SCHEMBL4419865 0.84 P2RX7 (0.54) P2RX7HRH2HRH1KMT2AMAPK1
SCHEMBL15083273 0.83 P2RX7 (0.54) P2RX7HRH2HRH1KMT2AMAPK1

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
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

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 15/4885HRH2 324/4885HRH1 738/4885
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 P2RX7 15/4885HRH2 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.