SCHEMBL753787

SCHEMBL753787

O=C(O)c1oc(C2(O)CCSCC2)cc1Cc1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 2/20 0.32
HSP90AA1 P07900 1/20 0.32
NPC1 O15118 2/20 0.31
MAPT P10636 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NR4A1 P22736 1/20 0.30
NR4A2 P43354 1/20 0.30
NR4A3 Q92570 1/20 0.30
POLB P06746 1/20 0.30
MAOB P27338 1/20 0.30
MMP1 P03956 1/20 0.30
MMP13 P45452 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
SCHEMBL754819 0.88 HSD11B1 (0.37) CNR2GPR55PDE3BPDE3ARXRA
SCHEMBL18531597 0.87 HSP90AA1 (0.37) CNR2GPR55PDE3BPDE3AKMT2A
SCHEMBL16921580 0.83 PTGER4 (0.35) CNR2GPR55PDE3BPDE3AHTT
SCHEMBL18531595 0.75 CNR2 (0.38) CNR2GPR55PDE3BPDE3AKMT2A
SCHEMBL10290074 0.72 CNR2 (0.35) CNR2GPR55RAB9AKMT2ANPC1
SCHEMBL10290766 0.72 CNR2 (0.44) CNR2GPR55PDE3BPDE3ARAB9A
SCHEMBL16921579 0.70 CCNT1 (0.33) CNR2GPR55KMT2AMMP1MMP13
SCHEMBL752953 0.69 CCNT1 (0.35) CNR2GPR55RAB9AKMT2ALMNA
SCHEMBL755237 0.69 CNR2 (0.39) CNR2GPR55HCAR2LMNAHTT
SCHEMBL752076 0.68 CNR2 (0.38) CNR2GPR55KMT2AHCAR2LMNA

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 21 patents — showing the first 20. 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 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-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
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN 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 CNR2 4345/4885GPR55 3514/4885PDE3B 3430/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR2 3965/4885GPR55 2647/4885PDE3B 2465/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR2 3965/4885GPR55 2647/4885PDE3B 2465/4885

“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.