SCHEMBL753517

SCHEMBL753517

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
PTGER1 P34995 1/20 0.39
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOA P21397 1/20 0.38
PKM P14618 1/20 0.37
PTPN7 P35236 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSP90AA1 P07900 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
SCHEMBL752918 0.90 MAPT (0.43) KMT2AHTTLMNAPOLBSMN1; SMN2
SCHEMBL753257 0.88 SMN1; SMN2 (0.39) KMT2ALMNAHPGDPOLBSMN1; SMN2
SCHEMBL16921603 0.87 SMN1; SMN2 (0.43) KMT2AHTTLMNAPOLBSMN1; SMN2
SCHEMBL752163 0.87 LMNA (0.48) KMT2ALMNAHPGDPOLBALDH1A1
Benzylamine SCHEMBL752164 0.86 MAPT (0.40) KMT2ALMNAPOLBSMN1; SMN2PTGER1
SCHEMBL16925319 0.86 HTT (0.43) KMT2AHTTLMNAPOLBSMN1; SMN2
SCHEMBL751907 0.85 PTGER1 (0.40) KMT2ALMNAPOLBSMN1; SMN2PTGER1
SCHEMBL753158 0.85 PTGER1 (0.40) KMT2ALMNAPOLBSMN1; SMN2PTGER1
SCHEMBL16921609 0.85 LOXL2 (0.44) KMT2ALMNAPOLBSMN1; SMN2PTGER1
SCHEMBL755356 0.84 PTGER1 (0.39) LMNAPOLBSMN1; SMN2PTGER1ALDH1A1

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 16 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
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
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 KMT2A 516/4885HTT 4561/4885LMNA 2825/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMT2A 667/4885HTT 4541/4885LMNA 2945/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMT2A 667/4885HTT 4541/4885LMNA 2945/4885

“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.