SCHEMBL751844

SCHEMBL751844

CC(C)N1CC(C(=O)c2cncn2Cc2ccc(F)cc2)=C(O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.41
CYP11B2 P19099 8/20 0.41
CYP11B1 P15538 6/20 0.41
GRM2 Q14416 1/20 0.36
FNTA P49354 2/20 0.35
PGGT1B P53609 1/20 0.35
LIPG Q9Y5X9 2/20 0.35
MITF O75030 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL752814 0.84 CNR2 (0.44) LIPGNPSR1GAAL3MBTL1CYP1A2
SCHEMBL755691 0.80 NPSR1 (0.41) LIPGMITFPKMHTTRAB9A
SCHEMBL16921556 0.78 KDM4A (0.40) CYP11B2CYP11B1GRM2LIPG
SCHEMBL765402 0.78 CREBBP (0.43) GRM2HTTRAB9A
SCHEMBL753015 0.75 CYP11B1 (0.55) GPBAR1CYP11B2CYP11B1GRM2RAB9A
SCHEMBL2779143 0.74 NPSR1 (0.39) LIPGRAB9ANPSR1TP53GAA
SCHEMBL752989 0.73 SMN1; SMN2 (0.42) LIPGRAB9ANPSR1GAAL3MBTL1
SCHEMBL16908924 0.73 NPSR1 (0.35) LIPGRAB9ANPSR1TP53GAA
SCHEMBL752004 0.72 ALDH1A1 (0.40) LIPGHTTNPSR1CYP1A2CYP2C9
SCHEMBL752870 0.71 LIPG (0.35) GRM2LIPGNPSR1TP53

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 GPBAR1 4125/4885CYP11B2 2488/4885CYP11B1 1880/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI GPBAR1 3974/4885CYP11B2 2129/4885CYP11B1 1632/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI GPBAR1 3974/4885CYP11B2 2129/4885CYP11B1 1632/4885

“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.