SCHEMBL4146288

SCHEMBL4146288

CCOC(=O)c1cnc([S+](C)[O-])nc1OC1CC(C)CC(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 2/20 0.38
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CSNK1D P48730 2/20 0.37
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 6/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL25209893 0.83 CYP1A2 (0.43) MEN1KMT2ACYP1A2POLBCYP2C9
SCHEMBL4153625 0.82 KMT2A (0.53) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL25436320 0.82 ALDH1A1 (0.45) MEN1KMT2ACYP1A2POLBCYP2C9
SCHEMBL25215754 0.78 ALDH1A1 (0.43) MEN1KMT2ACYP1A2POLBCYP2C9
SCHEMBL25252195 0.77 KDM4E (0.40) MEN1KMT2ACYP1A2POLBCYP2C9
SCHEMBL4148915 0.77 KDM4E (0.52) MEN1KMT2APOLBL3MBTL1KDM4E
SCHEMBL4147375 0.73 CYP1A2 (0.51) KMT2ACYP1A2POLBCYP2C9CYP2C19
SCHEMBL4713311 0.72 ALDH1A1 (0.47) MEN1KMT2ACYP1A2POLBCYP2C9
SCHEMBL4072837 0.72 NR2F2 (0.58) MEN1KMT2APOLBCSNK1DKDM4E
SCHEMBL4154386 0.71 L3MBTL1 (0.51) MEN1KMT2AL3MBTL1KDM4EGAA

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-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) WARNER-LAMBERT COMPANY LLC 2009-09-10 US disclosed
EP-1682532-B1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
EP-1682532-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) Warner-Lambert Company LLC (US) 2006-07-26 EP disclosed
WO-2005042519-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE -3-KINASES (PI3K) WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 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-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) PIK3CA, PIK3CD, PIK3R5 MEN1 3332/4885KMT2A 3635/4885CYP1A2 1815/4885

“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.