SCHEMBL3330291

SCHEMBL3330291

CCOC(=O)c1cc(C#N)c(OS(C)(=O)=O)nc1COCc1ccc(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
NPSR1 Q6W5P4 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
GPR55 Q9Y2T6 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 2/20 0.39
P2RY12 Q9H244 4/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL3941050 0.89 SMN1; SMN2 (0.39) KDM4ENPSR1CYP2C9CYP3A4CYP1A2
SCHEMBL3226903 0.85 KDM4E (0.54) KDM4ENPSR1CYP2C9CYP3A4CYP1A2
SCHEMBL4990522 0.75 PTPN1 (0.36) KDM4ESMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL3327610 0.75 P2RY12 (0.71) CYP2C9CYP3A4P2RY12
SCHEMBL3231923 0.75 KDM4E (0.45) KDM4ENPSR1CYP2C9CYP3A4CYP1A2
SCHEMBL3226898 0.74 KMT2A (0.46) KDM4ENPSR1CYP2C9CYP3A4CYP1A2
SCHEMBL3326980 0.74 P2RY12 (0.72) CYP2C9CYP3A4CYP2C19P2RY12
SCHEMBL3227733 0.73 KDM4E (0.43) KDM4ENPSR1CYP2C9CYP3A4CYP1A2
SCHEMBL3327156 0.70 KDM4E (0.54) KDM4ENPSR1CYP2C9CYP3A4CYP1A2
SCHEMBL10378283 0.67 L3MBTL1 (0.72) KDM4ENPSR1CYP2C9CYP3A4CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 US disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 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 (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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 KDM4E 3186/4885NPSR1 1090/4885CYP2C9 114/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 KDM4E 4200/4885NPSR1 564/4885CYP2C9 964/4885

“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.