SCHEMBL754587

SCHEMBL754587

COCCN1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
ELOVL1 Q9BW60 5/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
MCHR1 Q99705 1/20 0.35
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM5 P41594 1/20 0.33
GRM3 Q14832 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL756220 0.90 JAK2 (0.43) JAK2JAK3KDM4ETDP1LIPG
SCHEMBL755319 0.89 JAK2 (0.43) JAK2JAK3KDM4EALDH1A1TDP1
SCHEMBL751416 0.88 JAK2 (0.44) JAK2JAK3KDM4EALDH1A1TDP1
SCHEMBL753011 0.87 JAK2 (0.45) JAK2JAK3KDM4ETDP1LIPG
SCHEMBL751248 0.85 LMNA (0.44) JAK2JAK3ALDH1A1TDP1LMNA
SCHEMBL753218 0.83 JAK2 (0.44) JAK2JAK3KDM4EALDH1A1TDP1
SCHEMBL754532 0.82 JAK2 (0.43) JAK2JAK3KDM4ETDP1LIPG
SCHEMBL753420 0.79 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTDP1LIPG
SCHEMBL755973 0.76 PKM (0.41) JAK2JAK3ALDH1A1HPGDLIPG
SCHEMBL2487611 0.74 JAK2 (0.46) JAK2JAK3KDM4ETDP1ELOVL1

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 JAK2 2687/4885JAK3 2119/4885KDM4E 336/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI JAK2 1875/4885JAK3 1523/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI JAK2 1875/4885JAK3 1523/4885KDM4E 382/4885

“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.