SCHEMBL541532

SCHEMBL541532

CCOC(=O)c1cnc(S(C)(=O)=O)nc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 5/20 0.56
NPC1 O15118 4/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 2/20 0.56
XBP1 P17861 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TLR9 Q9NR96 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 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
SCHEMBL12795952 0.88 ALDH1A1 (0.55) ALDH1A1MAPTNPC1MAPK1TP53
SCHEMBL4763594 0.84 MAPT (0.63) ALDH1A1MAPTNPC1MAPK1TP53
SCHEMBL1901370 0.81 MAPT (0.59) ALDH1A1MAPTNPC1MAPK1TP53
SCHEMBL1628005 0.81 MAPT (0.67) ALDH1A1MAPTNPC1MAPK1TP53
SCHEMBL31148371 0.81 MAPT (0.59) ALDH1A1MAPTNPC1MAPK1TP53
SCHEMBL14800642 0.80 ALDH1A1 (0.58) ALDH1A1MAPTNPC1MAPK1TP53
SCHEMBL13759846 0.79 HSP90AA1 (0.62) ALDH1A1MAPTNPC1MAPK1TP53
SCHEMBL5189309 0.79 LRRK2 (0.37) ALDH1A1MAPTNPC1MAPK1TP53
SCHEMBL4099544 0.78 MAPT (0.56) ALDH1A1MAPTNPC1MAPK1TP53
SCHEMBL1588311 0.77 MEN1 (0.58) ALDH1A1MAPTNPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 ALDH1A1 3897/4885MAPT 2938/4885NPC1 2248/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 ALDH1A1 4050/4885MAPT 3111/4885NPC1 2300/4885

“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.