SCHEMBL754752

SCHEMBL754752

CC(C)N1CC(c2ncc(CCc3ccc(F)cc3)cn2)=C(O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNH2 Q12809 3/20 0.34
HTR2A P28223 2/20 0.34
TNIK Q9UKE5 3/20 0.33
ME2 P23368 1/20 0.33
ME1 P48163 1/20 0.33
ME3 Q16798 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DAO P14920 1/20 0.33
MAP4K4 O95819 2/20 0.32
MAPK1 P28482 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2C P28335 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL749812 0.91 NPSR1 (0.33) USP1MEN1KMT2ALIPGSMN1; SMN2
SCHEMBL751868 0.85 ALKBH1 (0.43) LIPGPOLBHRH3
SCHEMBL754596 0.84 LIPG (0.42) USP1PTGS1PTGS2MEN1KMT2A
SCHEMBL754533 0.81 SMN1; SMN2 (0.34) USP1PTGS1PTGS2MEN1KMT2A
SCHEMBL757191 0.81 HRH3 (0.40) KCNH2LIPGSMN1; SMN2ALDH1A1HRH3
SCHEMBL754583 0.81 NR3C2 (0.40) PTGS1PTGS2KCNH2TNIKTMEM97
SCHEMBL751851 0.81 CYP11B1 (0.32) MEN1KMT2ALIPGSMN1; SMN2ALDH1A1
SCHEMBL755033 0.79 CSNK1A1 (0.33) PTGS1PTGS2KCNH2HTR2ATMEM97
SCHEMBL754375 0.77 FYN (0.33) LIPGSMN1; SMN2ALDH1A1CYP3A4IDH1
SCHEMBL754178 0.76 ALDH1A1 (0.37) MEN1KMT2AMAPK1LIPGALDH1A1

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 USP1 3136/4885PTGS1 2968/4885PTGS2 3738/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI USP1 3337/4885PTGS1 2889/4885PTGS2 3754/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI USP1 3337/4885PTGS1 2889/4885PTGS2 3754/4885

“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.