SCHEMBL3593326

SCHEMBL3593326

CC(=O)c1c(-c2ccco2)cc(-c2cccs2)[nH]c1=O.CC(C)c1cc(-c2cccs2)[nH]c(=O)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
PIM1 P11309 3/20 0.38
RET P07949 1/20 0.36
PARP1 P09874 1/20 0.35
PTGER2 P43116 1/20 0.35
POLB P06746 4/20 0.35
MEN1 O00255 4/20 0.35
GAA P10253 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.34
GLA P06280 3/20 0.34
MAPT P10636 3/20 0.34
RECQL P46063 2/20 0.34
BLM P54132 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
APEX1 P27695 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL3588895 0.89 KDM4E (0.45) KDM4EPIM1PARP1PTGER2POLB
SCHEMBL3590342 0.85 PARP1 (0.46) KDM4EPIM1RETPARP1PTGER2
SCHEMBL3593327 0.78 RET (0.36) KDM4EPIM1RETPOLBMEN1
SCHEMBL14385797 0.74 KDM4E (0.49) KDM4EPIM1PARP1PTGER2POLB
SCHEMBL3591219 0.69 KDM4E (0.73) KDM4EPIM1POLBMEN1GAA
SCHEMBL14390904 0.69 PARP1 (0.53) KDM4EPIM1PARP1PTGER2POLB
SCHEMBL14385824 0.65 ADORA2A (0.46) KDM4EPIM1PARP1PTGER2POLB
SCHEMBL3592589 0.64 KDM4E (0.67) KDM4EPIM1PARP1POLBMEN1
SCHEMBL3595434 0.64 TOP1 (0.56) KDM4EPIM1PARP1PTGER2POLB
SCHEMBL14478809 0.63 KDM4E (0.73) KDM4EPIM1POLBMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 KDM4E 1075/4885PIM1 40/4885RET 3449/4885

“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.