SCHEMBL753172

SCHEMBL753172

CON(C)C(=O)c1c(OCc2ccccc2)c(=O)n(C)n1COCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
SRD5A2 P31213 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2B P29275 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
ALOX5 P09917 1/20 0.34
SLC6A5 Q9Y345 3/20 0.34
SGMS1 Q86VZ5 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
SRD5A1 P18405 1/20 0.34
FFAR1 O14842 1/20 0.34
MAOB P27338 2/20 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
SCHEMBL752484 0.85 SRD5A2 (0.40) LMNAHPGDSRD5A2USP2ALDH1A1
SCHEMBL754152 0.80 LMNA (0.41) LMNAHPGDALDH1A1GAAMAOB
SCHEMBL755003 0.72 SMN1; SMN2 (0.38) LMNAALDH1A1HSD17B10
SCHEMBL2791982 0.70 LMNA (0.40) LMNAHPGDALDH1A1TSHRGAA
SCHEMBL30807979 0.68 APP (0.52) APPLMNAHPGDTSHRSLC6A5
SCHEMBL16163581 0.67 MAOB (0.42) APPALDH1A1PKMALOX5MAOB
SCHEMBL18702922 0.66 SCN9A (0.53) APP
SCHEMBL2290346 0.66 TRPM8 (0.55) APPGAASGMS2
SCHEMBL1034311 0.66 MAOB (0.63) SRD5A2ALOX5MAOB
SCHEMBL4944472 0.65 KMT2A (0.56) APPLMNAALDH1A1GAA

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-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 APP 3873/4885LMNA 2825/4885HPGD 2278/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI APP 4073/4885LMNA 2945/4885HPGD 2594/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI APP 4073/4885LMNA 2945/4885HPGD 2594/4885

“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.