SCHEMBL755420

SCHEMBL755420

CCOC(=O)c1nccc(OC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.48
BRD4 O60885 1/20 0.47
DPP4 P27487 1/20 0.45
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 2/20 0.41

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
SCHEMBL755289 0.84 MAPT (0.47) HSD17B2BRD4DPP4MAPTKDM4E
SCHEMBL18824893 0.83 L3MBTL1 (0.46) MAPTL3MBTL1KDM4EALDH1A1HTT
SCHEMBL27510506 0.83 DPP4 (0.47) HSD17B2BRD4DPP4KDM4EALDH1A1
SCHEMBL27492257 0.79 BRD4 (0.58) HSD17B2BRD4DPP4MAPTL3MBTL1
SCHEMBL30129484 0.78 CTSA (0.39) MAPTL3MBTL1KDM4EALDH1A1HTT
SCHEMBL14284230 0.78 LMNA (0.44) MAPTL3MBTL1KDM4EALDH1A1HTT
SCHEMBL753212 0.78 CA12 (0.44) MAPTL3MBTL1KDM4EALDH1A1HTT
SCHEMBL27071645 0.77 CYP1A2 (0.49) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL29659749 0.77 IKBKB (0.47) MAPTL3MBTL1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL5583653 0.77 CA12 (0.43) MAPTL3MBTL1KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
CN-1328261-C Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2007-07-25 CN disclosed
CN-1636981-A Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2005-07-13 CN disclosed
CN-1204137-C Uracil compound and application thereof SUMITOMO CHEMICAL CO (JP) 2005-06-01 CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP disclosed
CN-1316426-A Uracil compound and application thereof SUMITOMO CHEMICAL CO (JP) 2001-10-10 CN 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT HSD17B2 1489/4885BRD4 586/4885DPP4 889/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HSD17B2 1562/4885BRD4 427/4885DPP4 704/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HSD17B2 1562/4885BRD4 427/4885DPP4 704/4885

“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.