SCHEMBL2928253

SCHEMBL2928253

COc1ccc(-c2cc(C(=O)O)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.66
ADORA3 P0DMS8 6/20 0.61
BRD4 O60885 1/20 0.53
ACACA Q13085 1/20 0.52
CHEK1 O14757 1/20 0.52
KDM4E B2RXH2 2/20 0.52
ADORA2B P29275 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CFTR P13569 1/20 0.50

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
SCHEMBL29020194 0.89 KDM4E (0.62) MCL1ADORA3CHEK1KDM4EADORA2B
SCHEMBL29962056 0.89 KDM4E (0.62) MCL1ADORA3CHEK1KDM4EADORA2B
SCHEMBL4265697 0.86 KMO (0.58) MCL1ADORA3KDM4EADORA2BALDH1A1
SCHEMBL28067056 0.85 BRD4 (0.68) ADORA3BRD4ACACAKDM4EALDH1A1
SCHEMBL29573423 0.85 BRD4 (0.68) ADORA3BRD4ACACAKDM4EALDH1A1
SCHEMBL12306180 0.85 BRD4 (0.68) ADORA3BRD4ACACAKDM4EALDH1A1
SCHEMBL12306214 0.83 BRD4 (0.66) ADORA3BRD4ACACAKDM4EALDH1A1
SCHEMBL12306194 0.83 BRD4 (0.66) ADORA3BRD4ACACAKDM4EALDH1A1
SCHEMBL12306219 0.83 BRD4 (0.66) ADORA3BRD4ACACAKDM4EALDH1A1
SCHEMBL12306199 0.83 BRD4 (0.66) ADORA3BRD4ACACAKDM4EALDH1A1

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 MCL1 3735/4885ADORA3 19/4885BRD4 3305/4885

“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.