SCHEMBL886047

SCHEMBL886047

CC(C)c1c(C(=O)O)[nH]c(=O)n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
GSK3B P49841 3/20 0.42
GSK3A P49840 2/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
MAT2A P31153 1/20 0.39
NTRK1 P04629 2/20 0.39
NTRK3 Q16288 2/20 0.39
NTRK2 Q16620 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IGF1R P08069 1/20 0.39
FGFR1 P11362 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NOTUM Q6P988 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8171508 0.82 MAT2A (0.52) GAAALDH1A1KDM4EHPGDMAT2A
SCHEMBL2063139 0.80 REN (0.47) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL11158775 0.76 MEN1 (0.46) GAAGSK3BGSK3AALDH1A1KDM4E
SCHEMBL10964773 0.76 GSK3B (0.43) GAAGSK3BGSK3AALDH1A1KDM4E
Water SCHEMBL10965725 0.75 MEN1 (0.45) GAAGSK3BGSK3AALDH1A1KDM4E
SCHEMBL8177857 0.75 GPR119 (0.46) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL885949 0.74 GSK3B (0.44) GAAGSK3BGSK3AALDH1A1KDM4E
SCHEMBL11168938 0.74 KMT2A (0.52) GAAGSK3BGSK3AALDH1A1KDM4E
SCHEMBL11161558 0.73 GSK3B (0.43) GAAGSK3BGSK3AALDH1A1KDM4E
Water SCHEMBL10965947 0.72 GAA (0.42) GAAGSK3BGSK3AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT GAA 96/4885GSK3B 2792/4885GSK3A 2885/4885

“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.