SCHEMBL5477161

SCHEMBL5477161

COC(=O)c1cc(C)c(NC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
KDM4E B2RXH2 4/20 0.41
LCK P06239 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
CISD2 Q8N5K1 2/20 0.38
BRD9 Q9H8M2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP17A1 P05093 1/20 0.36

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
SCHEMBL21591921 0.84 ATR (0.43) ATRKDM4ELCKCA12CA1
SCHEMBL7682127 0.84 CA12 (0.43) LCKCA12CA1CA9RXFP1
SCHEMBL31554175 0.83 PDGFRB (0.52) ATRHPGDALDH1A1
SCHEMBL31455919 0.82 KDM4E (0.41) ATRKDM4ECA12CA1CA9
SCHEMBL10318265 0.81 ALDH1A1 (0.50) KDM4ELCKHPGDALDH1A1GLA
SCHEMBL11959276 0.81 LCK (0.49) ATRKDM4ELCKCA12CA1
SCHEMBL4568354 0.80 MAPT (0.49) KDM4ELCKCA12CA1CA9
SCHEMBL655194 0.80 POLB (0.48) LCKCA12CA1CA9RXFP1
SCHEMBL5413239 0.79 ALDH1A1 (0.49) KDM4EHPGDALDH1A1GAA
SCHEMBL16257042 0.79 KDM4E (0.51) ATRKDM4EHPGDALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ATR 2422/4885KDM4E 1759/4885LCK 819/4885

“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.