SCHEMBL753279

SCHEMBL753279

O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1)c1ccc(Cc2ccc(F)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
LIPG Q9Y5X9 7/20 0.45
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASP3 P42574 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2486832 0.86 ALDH1A1 (0.41) ALDH1A1POLBLIPGLMNA
SCHEMBL754447 0.85 LIPG (0.41) ALDH1A1POLBLIPGLMNA
SCHEMBL754217 0.84 LIPG (0.40) ALDH1A1POLBLIPGLMNANPSR1
SCHEMBL752965 0.83 LIPG (0.41) ALDH1A1POLBLIPGLMNA
SCHEMBL754682 0.83 ALDH1A1 (0.39) ALDH1A1POLBLIPGLMNASMN1; SMN2
SCHEMBL758461 0.82 ALDH1A1 (0.38) ALDH1A1POLBLIPGLMNANPSR1
SCHEMBL2489852 0.82 LIPG (0.44) ALDH1A1POLBLIPGHTTNPSR1
SCHEMBL752862 0.81 LIPG (0.41) ALDH1A1POLBLIPGHTTLMNA
SCHEMBL752762 0.81 ALDH1A1 (0.38) ALDH1A1POLBLIPGLMNA
SCHEMBL755241 0.81 ALDH1A1 (0.38) ALDH1A1POLBLIPGLMNA

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
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.