SCHEMBL3428686

SCHEMBL3428686

CC(C)N1CC(C(=O)c2ccc(Cc3ccc(F)cc3)s2)=C(O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.38
ALOX5 P09917 4/20 0.38
EPHX2 P34913 1/20 0.38
LIPG Q9Y5X9 3/20 0.36
NPSR1 Q6W5P4 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CCR6 P51684 2/20 0.35
GAA P10253 1/20 0.35
OPRK1 P41145 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 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
SCHEMBL16921567 0.87 HSD17B2 (0.38) HSD17B2ALOX5EPHX2LIPGNPSR1
SCHEMBL752989 0.83 SMN1; SMN2 (0.42) HSD17B2ALOX5EPHX2LIPGNPSR1
SCHEMBL752004 0.81 ALDH1A1 (0.40) LIPGNPSR1CCR6MEN1KMT2A
SCHEMBL754318 0.79 LIPG (0.36) LIPGNPSR1CCR6MEN1KMT2A
SCHEMBL2779143 0.78 NPSR1 (0.39) LIPGNPSR1SMN1; SMN2CCR6GAA
SCHEMBL753282 0.78 LIPG (0.37) HSD17B2LIPGNPSR1CCR6TDP1
SCHEMBL752847 0.78 LIPG (0.35) HSD17B2LIPGNPSR1SMN1; SMN2CCR6
SCHEMBL752712 0.78 LIPG (0.35) LIPGNPSR1CCR6TDP1MEN1
SCHEMBL752870 0.77 LIPG (0.35) LIPGNPSR1MAPT
SCHEMBL754559 0.77 LIPG (0.35) LIPGALDH1A1KDM4EHPGDMAPT

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 8 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-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 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 HSD17B2 1489/4885ALOX5 2851/4885EPHX2 1199/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HSD17B2 1562/4885ALOX5 3203/4885EPHX2 1026/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HSD17B2 1562/4885ALOX5 3203/4885EPHX2 1026/4885

“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.