SCHEMBL753182

SCHEMBL753182

COC(=O)c1cc(F)ccc1Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)C2)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
POLB P06746 2/20 0.34
P2RX3 P56373 1/20 0.34
IDH1 O75874 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL752332 0.90 HTT (0.36) HTTPOLBP2RX3ALDH1A1KDM4E
SCHEMBL751997 0.90 ALDH1A1 (0.33) POLBALDH1A1LIPG
SCHEMBL752749 0.88 KCNH2 (0.34) HTTPOLBALDH1A1USP2LIPG
SCHEMBL16921574 0.86 ALDH1A1 (0.34) POLBALDH1A1LMNALIPGRXFP1
SCHEMBL752986 0.85 KCNH2 (0.34) POLBP2RX3ALDH1A1LIPG
SCHEMBL27777175 0.85
SCHEMBL16921573 0.83 ALDH1A1 (0.31) POLBALDH1A1LIPG
SCHEMBL752004 0.83 ALDH1A1 (0.40) HTTPOLBALDH1A1KDM4ELMNA
SCHEMBL753699 0.82 ALDH1A1 (0.33) HTTPOLBALDH1A1LMNA
SCHEMBL756687 0.82 ALDH1A1 (0.33) HTTPOLBALDH1A1MEN1MAPT

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 13 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-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
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
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 HTT 4561/4885POLB 89/4885P2RX3 3526/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885POLB 107/4885P2RX3 3021/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885POLB 107/4885P2RX3 3021/4885

“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.