SCHEMBL752918

SCHEMBL752918

O=C(O)c1cc(=O)c(OCc2ccccc2)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
PTGER1 P34995 2/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NR4A2 P43354 2/20 0.39
LMNA P02545 3/20 0.39
SLC16A3 O15427 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
HTT P42858 1/20 0.36

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
Benzylamine SCHEMBL752164 0.95 MAPT (0.40) MAPTL3MBTL1POLBTDP1PTGER1
SCHEMBL752163 0.91 LMNA (0.48) MAPTL3MBTL1POLBKMT2ALMNA
SCHEMBL753517 0.90 KMT2A (0.42) POLBPTGER1KMT2ASMN1; SMN2LMNA
SCHEMBL16921603 0.89 SMN1; SMN2 (0.43) MAPTL3MBTL1POLBTDP1PTGER1
SCHEMBL751907 0.89 PTGER1 (0.40) MAPTL3MBTL1POLBTDP1PTGER1
SCHEMBL16921609 0.88 LOXL2 (0.44) MAPTL3MBTL1POLBTDP1PTGER1
SCHEMBL753158 0.88 PTGER1 (0.40) MAPTL3MBTL1POLBTDP1PTGER1
SCHEMBL753257 0.87 SMN1; SMN2 (0.39) MAPTL3MBTL1POLBTDP1PTGER1
SCHEMBL16921610 0.87 SMN1; SMN2 (0.37) MAPTL3MBTL1POLBTDP1PTGER1
SCHEMBL752400 0.86 PTGER1 (0.39) MAPTL3MBTL1POLBTDP1PTGER1

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 15 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-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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US 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
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

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 MAPT 4635/4885L3MBTL1 623/4885POLB 89/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885L3MBTL1 1368/4885POLB 107/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885L3MBTL1 1368/4885POLB 107/4885

“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.