SCHEMBL3588895

SCHEMBL3588895

CC(=O)c1c(-c2ccco2)cc(-c2cccs2)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
PIM1 P11309 3/20 0.45
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RECQL P46063 3/20 0.41
MAPT P10636 3/20 0.41
GLA P06280 2/20 0.41
BLM P54132 2/20 0.41
GAA P10253 2/20 0.41
APEX1 P27695 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP1 P09874 1/20 0.40
PKM P14618 1/20 0.40
PTGER2 P43116 1/20 0.40
TOP1 P11387 1/20 0.40
ADORA1 P30542 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3593326 0.89 KDM4E (0.38) KDM4EPIM1POLBALDH1A1MEN1
SCHEMBL14385797 0.81 KDM4E (0.49) KDM4EPIM1POLBALDH1A1MEN1
SCHEMBL3591219 0.78 KDM4E (0.73) KDM4EPIM1POLBALDH1A1MEN1
SCHEMBL3595434 0.71 TOP1 (0.56) KDM4EPIM1POLBALDH1A1MAPT
SCHEMBL14385824 0.71 ADORA2A (0.46) KDM4EPIM1POLBALDH1A1MEN1
SCHEMBL14478809 0.71 KDM4E (0.73) KDM4EPIM1POLBALDH1A1MEN1
SCHEMBL3593327 0.69 RET (0.36) KDM4EPIM1POLBALDH1A1MEN1
SCHEMBL3590342 0.68 PARP1 (0.46) KDM4EPIM1ALDH1A1MEN1KMT2A
SCHEMBL3590531 0.68 ADORA2A (0.57) KDM4EPIM1POLBALDH1A1MEN1
SCHEMBL18671634 0.68 ALDH1A1 (0.51) KDM4EPOLBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
EP-2019827-A1 INTEGRASE INHIBITORS 3 Avexa Limited (AU) 2009-02-04 EP disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 WO disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 KDM4E 1075/4885PIM1 40/4885POLB 66/4885

“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.