SCHEMBL753218

SCHEMBL753218

C=CCN1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
ELOVL1 Q9BW60 5/20 0.34
GRM5 P41594 1/20 0.34
GRM3 Q14832 1/20 0.34
MAOB P27338 5/20 0.33
MAOA P21397 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2C9 P11712 1/20 0.32
PTGER1 P34995 1/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL751416 0.87 JAK2 (0.44) JAK2JAK3ELOVL1GRM5GRM3
SCHEMBL755319 0.86 JAK2 (0.43) JAK2JAK3ELOVL1GRM5GRM3
SCHEMBL756220 0.85 JAK2 (0.43) JAK2JAK3ELOVL1GRM5GRM3
SCHEMBL753011 0.83 JAK2 (0.45) JAK2JAK3ELOVL1GRM5GRM3
SCHEMBL754587 0.83 JAK2 (0.41) JAK2JAK3ELOVL1GRM5GRM3
SCHEMBL751248 0.82 LMNA (0.44) JAK2JAK3MAOBMAOALMNA
SCHEMBL754532 0.81 JAK2 (0.43) JAK2JAK3ELOVL1GRM5GRM3
SCHEMBL2487611 0.77 JAK2 (0.46) JAK2JAK3ELOVL1GRM5MAOB
SCHEMBL755973 0.72 PKM (0.41) JAK2JAK3GRM5GRM3PTGER1
SCHEMBL754930 0.67 GPR84 (0.38) MAOBNPC1RAB9ACYP2C9ALDH1A1

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 2119/4885ELOVL1 2566/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI JAK2 1875/4885JAK3 1523/4885ELOVL1 2956/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI JAK2 1875/4885JAK3 1523/4885ELOVL1 2956/4885

“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.