SCHEMBL755341

SCHEMBL755341

O=C(c1ccc(Cc2ccc(F)cc2)o1)c1occc(=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
LMNA P02545 3/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL755446 0.80 TEAD4 (0.42) ALDH1A1POLBCNR2GPR55L3MBTL1
SCHEMBL755559 0.80 MMP3 (0.47) MMP1MMP3MMP7MMP9MMP8
SCHEMBL753088 0.80 POLB (0.38) MMP1MMP3MMP7MMP9MMP8
SCHEMBL755450 0.80 POLB (0.36) MMP3ALDH1A1POLBCNR2GPR55
SCHEMBL752919 0.79 POLB (0.37) ALDH1A1POLBCNR2GPR55LMNA
Isopropylamine SCHEMBL755786 0.78 CNR2 (0.37) MMP1MMP3MMP7MMP9MMP8
Methylamine SCHEMBL753441 0.77 CNR2 (0.38) MMP1MMP3MMP7MMP9MMP8
Dimethylamine SCHEMBL752802 0.77 CNR2 (0.38) MMP1MMP3MMP7MMP9MMP8
SCHEMBL753335 0.76 CNR2 (0.38) MMP3ALDH1A1POLBCNR2GPR55
SCHEMBL753407 0.76 HTT (0.49) ALDH1A1POLBCNR2GPR55LMNA

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 17 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
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 MMP1 3068/4885MMP3 3687/4885MMP7 2105/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MMP1 1954/4885MMP3 3221/4885MMP7 2228/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MMP1 1954/4885MMP3 3221/4885MMP7 2228/4885

“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.