SCHEMBL754565

SCHEMBL754565

CC(C)c1cccc(COc2cc(C3=C(O)C(=O)N(C)C3)ncn2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
PTGER3 P43115 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MDM4 O15151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
TYR P14679 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CA5A P35218 1/20 0.32
HTT P42858 1/20 0.32
HDAC4 P56524 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
SCHEMBL755294 0.89 MRGPRX4 (0.33) MRGPRX4PTGER3AXLMERTKKDM4E
SCHEMBL755973 0.87 PKM (0.41) LIPGALDH1A1HPGDHTT
SCHEMBL754125 0.81 LIPG (0.33) LIPG
SCHEMBL753011 0.81 JAK2 (0.45) LIPGKDM4ETDP1
SCHEMBL754930 0.77 GPR84 (0.38) LIPGALDH1A1SMN1; SMN2
SCHEMBL752750 0.73 NPC1 (0.50) LIPGALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL754532 0.72 JAK2 (0.43) LIPGKDM4ETDP1
SCHEMBL752280 0.70 LIPG (0.45) LIPGALDH1A1
SCHEMBL756220 0.70 JAK2 (0.43) LIPGKDM4ETDP1
SCHEMBL751416 0.69 JAK2 (0.44) LIPGKDM4EALDH1A1HTTSMN1; SMN2

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 LIPG 3541/4885MRGPRX4 3596/4885PTGER3 4680/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885MRGPRX4 2078/4885PTGER3 4294/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885MRGPRX4 2078/4885PTGER3 4294/4885

“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.