SCHEMBL764278

SCHEMBL764278

CC(C)(C)c1cc(Cc2ccc(F)cc2)c(C(=O)C2=C(O)C(=O)N(C3CC3)C2)o1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LIPG Q9Y5X9 4/20 0.37
HTT P42858 1/20 0.34
MAPK14 Q16539 1/20 0.34
CNR2 P34972 3/20 0.33
GPR55 Q9Y2T6 1/20 0.33
HSP90AA1 P07900 1/20 0.32
LMNA P02545 1/20 0.32
CNR1 P21554 2/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL754111 0.88 LIPG (0.45) NPSR1MEN1KMT2ALIPGMAPK14
SCHEMBL754498 0.85 LIPG (0.38) NPSR1MEN1KMT2ALIPGHTT
SCHEMBL752760 0.84 NPSR1 (0.35) NPSR1MEN1KMT2ALIPGHTT
SCHEMBL754083 0.80 LIPG (0.45) LIPGCNR2GPR55HSP90AA1CNR1
SCHEMBL754549 0.78 LIPG (0.35) MEN1KMT2ALIPGCNR2GPR55
SCHEMBL751986 0.77 LIPG (0.41) LIPGLMNAGLAPOLBTP53
SCHEMBL752850 0.74 LIPG (0.47) LIPGCNR2GPR55HSP90AA1
SCHEMBL754205 0.74 LIPG (0.47) LIPGCNR2GPR55HSP90AA1PDE3B
SCHEMBL753133 0.73 LIPG (0.43) NPSR1MEN1KMT2ALIPGLMNA
SCHEMBL753687 0.73 LIPG (0.43) LIPGCNR2GPR55CNR1PDE3B

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
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 NPSR1 4178/4885MEN1 4766/4885KMT2A 516/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885MEN1 4775/4885KMT2A 667/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885MEN1 4775/4885KMT2A 667/4885

“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.