SCHEMBL752762

SCHEMBL752762

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
LIPG Q9Y5X9 5/20 0.36
RXFP1 Q9HBX9 1/20 0.31
PER2 O15055 1/20 0.31
CRY2 Q49AN0 1/20 0.31
HSP90AA1 P07900 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 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
SCHEMBL755241 0.92 ALDH1A1 (0.38) ALDH1A1POLBLIPGRXFP1PER2
SCHEMBL754446 0.89 ALDH1A1 (0.36) ALDH1A1POLBLIPGRXFP1PER2
SCHEMBL758461 0.89 ALDH1A1 (0.38) ALDH1A1POLBLIPGRXFP1LMNA
SCHEMBL754447 0.85 LIPG (0.41) ALDH1A1POLBLIPGHSP90AA1LMNA
SCHEMBL2486832 0.84 ALDH1A1 (0.41) ALDH1A1POLBLIPGLMNATSHR
SCHEMBL752965 0.83 LIPG (0.41) ALDH1A1POLBLIPGLMNATSHR
SCHEMBL754217 0.82 LIPG (0.40) ALDH1A1POLBLIPGRXFP1LMNA
SCHEMBL754682 0.81 ALDH1A1 (0.39) ALDH1A1POLBLIPGRXFP1LMNA
SCHEMBL753279 0.81 ALDH1A1 (0.46) ALDH1A1POLBLIPGLMNA
SCHEMBL754854 0.81 HSP90AA1 (0.35) LIPGRXFP1PER2CRY2HSP90AA1

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