SCHEMBL2922641

SCHEMBL2922641

CCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(OCC)OCC)NC(=O)OC(C)(C)C)CC1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.36
ITGA2B P08514 9/20 0.36
CTSL P07711 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MC4R P32245 1/20 0.34
P2RY12 Q9H244 2/20 0.34
TGM2 P21980 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL2922646 1.00 ITGB3 (0.36) ITGB3ITGA2BCTSLCYP1A2CYP2C9
SCHEMBL1111370 0.92 CTSL (0.36) ITGB3ITGA2BCTSLCYP1A2CYP2C9
SCHEMBL1111368 0.92 CTSL (0.36) ITGB3ITGA2BCTSLCYP1A2CYP2C9
SCHEMBL1111134 0.86 CYP1A2 (0.40) CTSLCYP1A2CYP2C9CYP2C19HTT
SCHEMBL1111141 0.86 CYP1A2 (0.40) CTSLCYP1A2CYP2C9CYP2C19HTT
SCHEMBL1111139 0.86 CYP1A2 (0.40) CTSLCYP1A2CYP2C9CYP2C19HTT
SCHEMBL27793767 0.80 TSHR (0.40) ITGB3ITGA2BCYP1A2CYP2C9CYP2C19
SCHEMBL523527 0.78 P2RY12 (0.45) P2RY12
SCHEMBL31192233 0.78 P2RY12 (0.45) P2RY12
SCHEMBL3053284 0.78 P2RY12 (0.45) P2RY12

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 ITGB3 607/4885ITGA2B 411/4885CTSL 4284/4885

“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.