SCHEMBL752929

SCHEMBL752929

CC(C)N1CC(c2ccc(OCc3ccc(F)cc3)cn2)=C(O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.44
CYP4A11 Q02928 4/20 0.44
MAOB P27338 4/20 0.39
MAOA P21397 1/20 0.39
NR4A2 P43354 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LIPG Q9Y5X9 1/20 0.37
POLB P06746 1/20 0.37
ALKBH1 Q13686 1/20 0.37
PARP10 Q53GL7 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
S1PR5 Q9H228 1/20 0.36
FFAR1 O14842 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MMP13 P45452 1/20 0.35

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
SCHEMBL751868 0.87 ALKBH1 (0.43) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL756168 0.87 IDH1 (0.38) LIPGHRH3
SCHEMBL754314 0.86 LIPG (0.48) CYP4F2CYP4A11MAOBMAOANR4A2
SCHEMBL751851 0.85 CYP11B1 (0.32) LIPG
SCHEMBL754532 0.80 JAK2 (0.43) MAOBMAOALIPGPOLB
SCHEMBL754375 0.80 FYN (0.33) LIPG
SCHEMBL2486824 0.79 HRH3 (0.43) LIPGHRH3MMP13
SCHEMBL754568 0.77 ACACB (0.40) LIPGHRH3MMP13
SCHEMBL757191 0.77 HRH3 (0.40) LIPGHRH3
SCHEMBL753694 0.77

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 CYP4F2 2346/4885CYP4A11 787/4885MAOB 709/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CYP4F2 2332/4885CYP4A11 698/4885MAOB 900/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CYP4F2 2332/4885CYP4A11 698/4885MAOB 900/4885

“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.