SCHEMBL4257305

SCHEMBL4257305

CCCCOc1ccc(N)c(C(=O)OC)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 4/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
PLA2G2A P14555 2/20 0.48
CFTR P13569 1/20 0.47
ALPL P05186 1/20 0.47
PTPN11 Q06124 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL13163939 0.94 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL1012515 0.90 KDM4E (0.55) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL13163934 0.90 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL4251894 0.88 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL7452382 0.88 KDM4E (0.56) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL267612 0.88 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL13740239 0.88 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL30710211 0.87 MAPT (0.52) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL13162549 0.86 KDM4E (0.51) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL21543811 0.86 MAOA (0.55) ALDH1A1KDM4EMAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 US disclosed
US-8828991-B2 Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-09 US disclosed
US-8541402-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-24 US disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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 (3 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-20110021486-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H ALDH1A1 2053/4885HSD17B10 1063/4885KDM4E 3210/4885
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT ALDH1A1 1981/4885HSD17B10 3564/4885KDM4E 414/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H ALDH1A1 2053/4885HSD17B10 1063/4885KDM4E 3210/4885

“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.