SCHEMBL754182

SCHEMBL754182

Cn1c(C(=O)O)c(O)c(=O)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
ALDH1A1 P00352 4/20 0.63
CYP2C19 P33261 2/20 0.63
HSD17B10 Q99714 2/20 0.63
HTT P42858 2/20 0.63
HPGD P15428 2/20 0.63
GLA P06280 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.51
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGFR P00533 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PGR P06401 2/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 1/20 0.45
KDM1A O60341 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL5001736 0.88 ALDH1A1 (0.54) KDM4EALDH1A1CYP2C19HSD17B10HTT
SCHEMBL29372620 0.80 EGFR (0.54) KDM4EALDH1A1CYP2C19HSD17B10HTT
SCHEMBL752325 0.80 KDM1A (0.51) KDM4EALDH1A1CYP2C19HSD17B10HTT
SCHEMBL11811603 0.77 EGFR (0.65) KDM4EALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL30639179 0.77 KDM4E (0.67) KDM4EALDH1A1MAPTKMT2AEGFR
SCHEMBL1092586 0.77 KDM4E (0.67) KDM4EALDH1A1MAPTKMT2AEGFR
SCHEMBL8689614 0.76 KDM4E (0.50) KDM4EMAPTKMT2AEGFRL3MBTL1
SCHEMBL7482958 0.76 MCL1 (0.52) KDM4EALDH1A1HTTMAPTKMT2A
SCHEMBL2662567 0.76 EGFR (0.54) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL27967619 0.76 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTKMT2A

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 12 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
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 KDM4E 336/4885ALDH1A1 658/4885CYP2C19 1383/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885ALDH1A1 424/4885CYP2C19 1293/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885ALDH1A1 424/4885CYP2C19 1293/4885

“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.