SCHEMBL752749

SCHEMBL752749

COc1cc(F)ccc1Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)C2)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
PLA2G4A P47712 1/20 0.33
POLB P06746 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
FPR1 P21462 1/20 0.32
GNRHR P30968 1/20 0.32
GPR183 P32249 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CBX7 O95931 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDYL Q9Y232 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 0.32
P2RX7 Q99572 1/20 0.32
PTGER1 P34995 1/20 0.32
MCHR1 Q99705 2/20 0.31
HTT P42858 1/20 0.31
ABCB1 P08183 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 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
SCHEMBL752986 0.92 KCNH2 (0.34) KCNH2POLBALDH1A1LIPGP2RX7
SCHEMBL765536 0.89 ALDH1A1 (0.36) POLBALDH1A1
SCHEMBL16921574 0.88 ALDH1A1 (0.34) KCNH2POLBALDH1A1LIPGGNRHR
SCHEMBL754550 0.88 LIPG (0.43) POLBALDH1A1LIPGESR1FFAR1
SCHEMBL753182 0.88 HTT (0.37) POLBALDH1A1LIPGHTTUSP2
SCHEMBL751997 0.86 ALDH1A1 (0.33) POLBALDH1A1LIPG
SCHEMBL753094 0.86 PDE10A (0.34) KCNH2HTT
SCHEMBL752004 0.84 ALDH1A1 (0.40) POLBALDH1A1LIPGHTTGPR55
SCHEMBL16921573 0.83 ALDH1A1 (0.31) POLBALDH1A1LIPG
SCHEMBL753137 0.83 ALDH1A1 (0.31) POLBALDH1A1

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 KCNH2 3468/4885PLA2G4A 4650/4885POLB 89/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KCNH2 3830/4885PLA2G4A 4592/4885POLB 107/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KCNH2 3830/4885PLA2G4A 4592/4885POLB 107/4885

“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.