SCHEMBL10098459

SCHEMBL10098459

NC(=O)CCC(N)CN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ANPEP P15144 1/20 0.49
KMT2A Q03164 4/20 0.46
ALOX15 P16050 2/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 7/20 0.45
GLA P06280 1/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 2/20 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
SCHEMBL16103709 1.00 KDM4E (0.52) KDM4EANPEPKMT2AALOX15BLM
SCHEMBL8190980 0.85 KDM4E (0.50) KDM4EANPEPKMT2AALOX15BLM
SCHEMBL10098465 0.82 L3MBTL1 (0.55) ANPEPKMT2AALOX15BLMPMP22
SCHEMBL16103720 0.82 L3MBTL1 (0.55) ANPEPKMT2AALOX15BLMPMP22
SCHEMBL10098488 0.79 KMT2A (0.41) KDM4EKMT2AALOX15BLMPMP22
SCHEMBL16103625 0.79 KMT2A (0.41) KDM4EKMT2AALOX15BLMPMP22
SCHEMBL372508 0.77 USP2 (0.58) KDM4EANPEPKMT2AALOX15USP2
SCHEMBL17819447 0.76 USP2 (0.48) KDM4EANPEPKMT2AUSP2ALDH1A1
SCHEMBL5076673 0.76 USP2 (0.48) KDM4EANPEPKMT2AUSP2ALDH1A1
SCHEMBL7288389 0.76 ANPEP (0.56) KDM4EANPEPKMT2AALOX15USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 US disclosed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 US disclosed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 US disclosed
WO-2010118309-A2 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-10-14 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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 KDM4E 1827/4885ANPEP 1917/4885KMT2A 2506/4885

“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.