SCHEMBL754533

SCHEMBL754533

CC(C)N1CC(c2ncc(CCc3ccc(F)cc3)s2)=C(O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
OPRK1 P41145 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LIPG Q9Y5X9 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
MAPK14 Q16539 2/20 0.32
USP1 O94782 1/20 0.32
MAPK13 O15264 1/20 0.32
HSD17B13 Q7Z5P4 2/20 0.32
IDH1 O75874 1/20 0.31
AOC3 Q16853 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL752070 0.91 SMN1; SMN2 (0.43) SMN1; SMN2GAAOPRK1CCR6NPSR1
SCHEMBL753518 0.86 LIPG (0.43) SMN1; SMN2GAAOPRK1CCR6NPSR1
SCHEMBL754752 0.81 USP1 (0.36) SMN1; SMN2LIPGMEN1KMT2APOLB
SCHEMBL754583 0.77 NR3C2 (0.40) LIPGIDH1ALDH1A1PTGS1PTGS2
SCHEMBL753281 0.76 LIPG (0.44) SMN1; SMN2GAAOPRK1CCR6NPSR1
SCHEMBL755033 0.75 CSNK1A1 (0.33) AOC3PTGS1PTGS2KCNH2TMEM97
SCHEMBL749812 0.75 NPSR1 (0.33) SMN1; SMN2GAAOPRK1CCR6NPSR1
SCHEMBL752989 0.74 SMN1; SMN2 (0.42) SMN1; SMN2GAAOPRK1CCR6NPSR1
SCHEMBL751851 0.74 CYP11B1 (0.32) SMN1; SMN2GAAOPRK1CCR6NPSR1
SCHEMBL754375 0.73 FYN (0.33) SMN1; SMN2GAAOPRK1CCR6NPSR1

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 SMN1; SMN2 3953/4885GAA 1106/4885OPRK1 797/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885GAA 1442/4885OPRK1 719/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885GAA 1442/4885OPRK1 719/4885

“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.