SCHEMBL755294

SCHEMBL755294

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.33
PTGER3 P43115 1/20 0.32
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MDM4 O15151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TYR P14679 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CA5A P35218 1/20 0.31
HTT P42858 1/20 0.31
HDAC4 P56524 1/20 0.31
MDM2 Q00987 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL754565 0.89 LIPG (0.35) MRGPRX4PTGER3KDM4EMDM4ALDH1A1
SCHEMBL752783 0.89 ACACB (0.38) GRM5ALDH1A1HPGDHTTACACB
SCHEMBL752324 0.80 GPR84 (0.37) ACACB
SCHEMBL755973 0.75 PKM (0.41) GRM5ALDH1A1HPGDHTTACACB
SCHEMBL752035 0.74 BACE1 (0.39) GRM5
SCHEMBL753011 0.69 JAK2 (0.45) GRM5KDM4ETDP1
SCHEMBL751416 0.69 JAK2 (0.44) GRM5KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL751999 0.69 ALKBH1 (0.41) GRM5ACACB
SCHEMBL756220 0.67 JAK2 (0.43) GRM5KDM4ETDP1
SCHEMBL755319 0.66 JAK2 (0.43) GRM5KDM4EALDH1A1HTTSMN1; 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 10 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
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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MRGPRX4 2078/4885PTGER3 4294/4885GRM5 4337/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MRGPRX4 2078/4885PTGER3 4294/4885GRM5 4337/4885

“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.