SCHEMBL755706

SCHEMBL755706

O=C(NCc1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.41
MMP12 P39900 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
PTGER2 P43116 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
CXCR4 P61073 1/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL753758 0.86 MMP3 (0.38) MMP3MMP12MMP1MMP2MMP7
SCHEMBL754737 0.85 ALDH1A1 (0.48) MMP3MMP12MMP1MMP2MMP7
SCHEMBL754575 0.83 CXCR4 (0.44) MEN1KMT2ACXCR4POLBTP53
SCHEMBL751254 0.82 HPGD (0.50) MMP3MMP12MMP1MMP2MMP7
SCHEMBL751551 0.82 GAA (0.38) MMP3ALDH1A1LMNAMEN1KMT2A
SCHEMBL755446 0.81 TEAD4 (0.42) ALDH1A1KMT2APOLBKDM4EL3MBTL1
SCHEMBL752233 0.80 MAPT (0.48) ALDH1A1LMNAMEN1RECQLKMT2A
SCHEMBL753088 0.79 POLB (0.38) MMP3MMP12MMP1MMP2MMP7
Dimethylamine SCHEMBL752802 0.78 CNR2 (0.38) MMP3MMP12MMP1MMP2MMP7
SCHEMBL751255 0.78 KMT2A (0.38) MMP3ALDH1A1LMNAMEN1KMT2A

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 9 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-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
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
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 (2 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 MMP3 3687/4885MMP12 2853/4885MMP1 3068/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MMP3 3221/4885MMP12 2059/4885MMP1 1954/4885

“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.