SCHEMBL754532

SCHEMBL754532

CC(C)N1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
ELOVL1 Q9BW60 5/20 0.34
GRM5 P41594 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM3 Q14832 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ACACB O00763 2/20 0.33
MCHR1 Q99705 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 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
SCHEMBL752783 0.90 ACACB (0.38) JAK2JAK3GRM5LMNATSHR
SCHEMBL753011 0.86 JAK2 (0.45) JAK2JAK3ELOVL1GRM5KDM4E
SCHEMBL751416 0.85 JAK2 (0.44) JAK2JAK3ELOVL1GRM5KDM4E
SCHEMBL752324 0.84 GPR84 (0.37) MAOBACACBKCNH2
SCHEMBL756220 0.84 JAK2 (0.43) JAK2JAK3ELOVL1GRM5KDM4E
SCHEMBL755294 0.83 MRGPRX4 (0.33) GRM5KDM4ETDP1ACACB
SCHEMBL755319 0.82 JAK2 (0.43) JAK2JAK3ELOVL1GRM5KDM4E
SCHEMBL755033 0.82 CSNK1A1 (0.33) ELOVL1KCNH2
SCHEMBL754587 0.82 JAK2 (0.41) JAK2JAK3ELOVL1GRM5KDM4E
SCHEMBL755617 0.82 TRPA1 (0.30)

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.