SCHEMBL752967

SCHEMBL752967

CC(CO)N1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LIPG Q9Y5X9 2/20 0.35
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
TRPA1 O75762 1/20 0.31
HTT P42858 1/20 0.30
PAX8 Q06710 3/20 0.30

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
SCHEMBL752004 0.90 ALDH1A1 (0.40) POLBALDH1A1LIPGNPSR1RXFP1
SCHEMBL18633315 0.88 POLB (0.39) POLBALDH1A1LIPGNPSR1RXFP1
SCHEMBL751187 0.86 ALDH1A1 (0.39) POLBALDH1A1LIPGNPSR1RXFP1
SCHEMBL752899 0.82 LIPG (0.51) POLBALDH1A1LIPGTSHRLMNA
SCHEMBL758461 0.81 ALDH1A1 (0.38) POLBALDH1A1LIPGNPSR1RXFP1
SCHEMBL765859 0.81 LIPG (0.37) POLBALDH1A1LIPGRXFP1LMNA
SCHEMBL2486832 0.81 ALDH1A1 (0.41) POLBALDH1A1LIPGTSHRLMNA
SCHEMBL752762 0.80 ALDH1A1 (0.38) POLBALDH1A1LIPGRXFP1TSHR
SCHEMBL754447 0.80 LIPG (0.41) POLBALDH1A1LIPGTSHRLMNA
SCHEMBL754217 0.79 LIPG (0.40) POLBALDH1A1LIPGNPSR1RXFP1

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 11 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
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 POLB 89/4885ALDH1A1 658/4885LIPG 3541/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI POLB 107/4885ALDH1A1 424/4885LIPG 4229/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI POLB 107/4885ALDH1A1 424/4885LIPG 4229/4885

“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.