SCHEMBL3044404

SCHEMBL3044404

COC1CCN(c2cc(C(=O)O)nc(-c3ccc(C)cc3)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 9/20 0.53
TTR P02766 2/20 0.43
RBP4 P02753 1/20 0.43
NAPEPLD Q6IQ20 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGER4 P35408 1/20 0.42
FPR2 P25090 2/20 0.41
SCN9A Q15858 2/20 0.41
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA2 P54646 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAG3 Q9UGI9 2/20 0.41
PRKAG2 Q9UGJ0 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
USP2 O75604 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2928595 1.00 P2RY12 (0.53) P2RY12TTRRBP4NAPEPLDTDP1
SCHEMBL29521457 0.91 P2RY12 (0.59) P2RY12TTRRBP4NAPEPLDTDP1
SCHEMBL3059830 0.91 P2RY12 (0.59) P2RY12TTRRBP4NAPEPLDTDP1
SCHEMBL2921143 0.91 P2RY12 (0.59) P2RY12TTRRBP4NAPEPLDTDP1
SCHEMBL3051255 0.90 FPR2 (0.52) P2RY12TTRRBP4NAPEPLDFPR2
SCHEMBL3051259 0.90 FPR2 (0.52) P2RY12TTRRBP4NAPEPLDFPR2
SCHEMBL29521263 0.90 P2RY12 (0.58) P2RY12TTRRBP4NAPEPLDTDP1
SCHEMBL3062229 0.83 P2RY12 (0.50) P2RY12TTRRBP4NAPEPLDTDP1
SCHEMBL3062233 0.83 P2RY12 (0.50) P2RY12TTRRBP4NAPEPLDTDP1
SCHEMBL29510604 0.82 P2RY12 (0.56) P2RY12NAPEPLDTDP1USP2LMNA

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-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

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 P2RY12 1/4885TTR 1060/4885RBP4 1962/4885

“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.