SCHEMBL753420

SCHEMBL753420

COCCN1CC(c2ccc(Cc3ccc(F)cc3)cn2)=C(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LIPG Q9Y5X9 2/20 0.36
PARP1 P09874 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
USP2 O75604 2/20 0.34
HSD17B10 Q99714 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MTOR P42345 2/20 0.33
PIK3CA P42336 1/20 0.33
POLB P06746 2/20 0.33
LTA4H P09960 1/20 0.33
MAPT P10636 1/20 0.33
RPTOR Q8N122 1/20 0.33
MLST8 Q9BVC4 1/20 0.33
ADORA2A P29274 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
SCHEMBL755768 0.88 LIPG (0.34) ALDH1A1TDP1LIPGSMN1; SMN2
SCHEMBL752339 0.85 LIPG (0.42) ALDH1A1LIPGSMN1; SMN2POLB
SCHEMBL754324 0.84 LMNA (0.44) ALDH1A1HPGDCYP1A2CYP3A4USP2
SCHEMBL751851 0.80 CYP11B1 (0.32) ALDH1A1KDM4EHPGDTDP1LIPG
SCHEMBL754587 0.79 JAK2 (0.41) ALDH1A1KDM4EHPGDTDP1LIPG
SCHEMBL12378276 0.73 MAPK1 (0.35) ALDH1A1HPGDPARP1SMN1; SMN2POLB
SCHEMBL754314 0.72 LIPG (0.48) LIPGPOLB
SCHEMBL754144 0.72 LIPG (0.42) ALDH1A1TDP1LIPGSMN1; SMN2POLB
SCHEMBL755059 0.72 LIPG (0.40) ALDH1A1TDP1LIPGCYP3A4SMN1; SMN2
SCHEMBL752862 0.72 LIPG (0.41) ALDH1A1KDM4EHPGDTDP1LIPG

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 ALDH1A1 658/4885KDM4E 336/4885HPGD 2278/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885KDM4E 382/4885HPGD 2594/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885KDM4E 382/4885HPGD 2594/4885

“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.