SCHEMBL752965

SCHEMBL752965

O=C(C1=C(O)C(=O)N(CCCO)C1)c1ccc(Cc2ccc(F)cc2)o1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
TRPC5 Q9UL62 2/20 0.34
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL754447 0.94 LIPG (0.41) LIPGALDH1A1POLBLMNATSHR
SCHEMBL2489852 0.91 LIPG (0.44) LIPGALDH1A1POLB
SCHEMBL754217 0.88 LIPG (0.40) LIPGALDH1A1POLBLMNATSHR
SCHEMBL2486832 0.86 ALDH1A1 (0.41) LIPGALDH1A1POLBLMNATSHR
SCHEMBL752862 0.85 LIPG (0.41) LIPGALDH1A1POLBLMNATSHR
SCHEMBL765857 0.85 LIPG (0.47) LIPGALDH1A1POLBLMNA
SCHEMBL755124 0.85 DRD2 (0.40) LIPGALDH1A1POLBTSHR
SCHEMBL752762 0.83 ALDH1A1 (0.38) LIPGALDH1A1POLBLMNATSHR
SCHEMBL752899 0.83 LIPG (0.51) LIPGALDH1A1POLBLMNATSHR
SCHEMBL754682 0.83 ALDH1A1 (0.39) LIPGALDH1A1POLBLMNATSHR

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 10 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
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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885ALDH1A1 424/4885POLB 107/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885ALDH1A1 424/4885POLB 107/4885

“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.