SCHEMBL2923484

SCHEMBL2923484

CCOC(=O)C(N)(C(=O)OC(C)(C)C)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.41
MMP8 P22894 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2923423 0.79 MEN1 (0.40) PIN1MMP8MEN1KMT2AHTT
SCHEMBL2928882 0.78 MAPT (0.42) MMP8MEN1KMT2AHTTNPC1
SCHEMBL24045987 0.77 PIN1 (0.47) PIN1MMP8MEN1KMT2ATSHR
SCHEMBL3058380 0.76 ALDH1A1 (0.39) MMP8MEN1KMT2ANPC1RAB9A
SCHEMBL2927231 0.76 KMT2A (0.42) PIN1MMP8MEN1KMT2AHTT
SCHEMBL31619484 0.76 PIN1 (0.46) PIN1MMP8MEN1KMT2AHTT
SCHEMBL19925655 0.74 PIN1 (0.47) PIN1MMP8MEN1KMT2AHTT
SCHEMBL30682977 0.74 PIN1 (0.47) PIN1MMP8MEN1KMT2AHTT
SCHEMBL27413433 0.73 PIN1 (0.46) PIN1MMP8MEN1KMT2AHTT
SCHEMBL27829334 0.71 CTSK (0.37) MEN1KMT2AHTTNPC1RAB9A

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 PIN1 4507/4885MMP8 4576/4885MEN1 3274/4885

“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.