SCHEMBL754523

SCHEMBL754523

CCOC(=O)c1coc(Cc2ccc(F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CCR6 P51684 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
CYP1A2 P05177 1/20 0.44
MMP13 P45452 2/20 0.43
MMP1 P03956 1/20 0.43

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
SCHEMBL31478493 0.87 NLRP3 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL11564835 0.86 CYP1A2 (0.50) ALDH1A1MAPTKDM4ENPSR1LMNA
SCHEMBL27588398 0.82 NPSR1 (0.40) MAPTKDM4ENPSR1LMNAPOLB
SCHEMBL758898 0.82 NPSR1 (0.42) MAPTKMT2ANPSR1NPC1KLKB1
SCHEMBL31434754 0.81 GABRA2 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31434665 0.81 CYP1A2 (0.41) MAPTGABRA2GABRB2POLBCYP1A2
SCHEMBL31434723 0.81 GABRA2 (0.44) ALDH1A1MAPTKDM4ENPSR1LMNA
SCHEMBL31434844 0.80 TP53 (0.48) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL31434623 0.79 CYP1A2 (0.40) MAPTKDM4EMEN1KMT2AGABRA2
SCHEMBL31434775 0.79 NR1H4 (0.38) ALDH1A1MAPTNPSR1POLBHTT

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-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 ALDH1A1 658/4885MAPT 4635/4885KDM4E 336/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885MAPT 4426/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885MAPT 4426/4885KDM4E 382/4885

“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.