SCHEMBL752870

SCHEMBL752870

CC(C)N1CC(C(=O)c2nc(Cc3ccc(F)cc3)co2)=C(O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
IDH1 O75874 2/20 0.30
GRM2 Q14416 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL750864 0.88 LIPG (0.47) LIPGGRM2
SCHEMBL752754 0.83 NPSR1 (0.35) LIPGNPSR1CNR1CNR2IDH1
SCHEMBL754318 0.81 LIPG (0.36) LIPGNPSR1CNR2MAPT
SCHEMBL16908924 0.81 NPSR1 (0.35) LIPGNPSR1IDH1TP53MAPT
SCHEMBL752757 0.80 NPSR1 (0.35) LIPGNPSR1CNR1CNR2IDH1
SCHEMBL754559 0.80 LIPG (0.35) LIPGIDH1MAPT
SCHEMBL752004 0.79 ALDH1A1 (0.40) LIPGNPSR1CNR2MAPT
SCHEMBL752970 0.79 PTGIR (0.37) LIPGNPSR1
SCHEMBL2779143 0.78 NPSR1 (0.39) LIPGNPSR1TP53MAPTTHRB
SCHEMBL753282 0.78 LIPG (0.37) LIPGNPSR1CNR2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885NPSR1 4131/4885CNR1 2564/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885NPSR1 4131/4885CNR1 2564/4885

“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.