SCHEMBL752149

SCHEMBL752149

CC(C)Oc1ccccc1Cc1ccc(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
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SLC9A1 P19634 1/20 0.31
ACHE P22303 1/20 0.31
PTGER1 P34995 1/20 0.31
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL765536 0.91 ALDH1A1 (0.36) HPGDSMN1; SMN2MAPTALDH1A1POLB
SCHEMBL752986 0.89 KCNH2 (0.34) ALDH1A1POLBPTGER1KCNH2TMEM97
SCHEMBL16921572 0.86 TYMP (0.35) TSHRSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL765859 0.84 LIPG (0.37) SMN1; SMN2MAPTALDH1A1POLBHTT
SCHEMBL751193 0.83 PARP1 (0.33) ALDH1A1POLBKDM4ELMNA
SCHEMBL756751 0.83 NQO1 (0.36) MAPTLMNA
SCHEMBL755448 0.83 P2RX3 (0.41) HPGDSMN1; SMN2FFAR4TP53MAPT
SCHEMBL752749 0.82 KCNH2 (0.34) USP2FFAR4ALDH1A1POLBPTGER1
SCHEMBL752004 0.81 ALDH1A1 (0.40) HPGDTSHRNPSR1MAPTALDH1A1
SCHEMBL755472 0.80 LMNA (0.34) SMN1; SMN2NPSR1MAPTALDH1A1POLB

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 USP2 3554/4885HPGD 2278/4885TSHR 4237/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI USP2 3766/4885HPGD 2594/4885TSHR 3427/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI USP2 3766/4885HPGD 2594/4885TSHR 3427/4885

“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.