SCHEMBL753666

SCHEMBL753666

CN1CC(C(=O)c2cnn(Cc3ccc(F)cc3)c2)=C(O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.47
CREBBP Q92793 1/20 0.47
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
KLKB1 P03952 2/20 0.39
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38
LIPC P11150 1/20 0.38
GRM2 Q14416 2/20 0.38

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
SCHEMBL765402 0.86 CREBBP (0.43) CREBBPLMNAMAPTALDH1A1HTT
SCHEMBL751967 0.77 LIPG (0.48) LIPGHTTLIPC
SCHEMBL27844387 0.75 MAPT (0.56) CREBBPLMNAMAPTALDH1A1HTT
SCHEMBL752774 0.74 LMNA (0.61) CREBBPLMNAMAPTALDH1A1HTT
SCHEMBL752105 0.74 LIPG (0.50) LIPGALDH1A1LIPC
SCHEMBL755994 0.73 LIPG (0.49) LIPGLIPC
SCHEMBL949903 0.73 HSD17B10 (0.61) CREBBPLMNAMAPTALDH1A1HTT
SCHEMBL6078610 0.72 LIPG (0.55) LIPGMAPTLIPC
SCHEMBL752116 0.72 LIPG (0.47) LIPGALDH1A1LIPC
SCHEMBL751203 0.72 LIPG (0.50) LIPGLMNAALDH1A1SMN1; SMN2LIPC

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 LIPG 3541/4885CREBBP 2557/4885LMNA 2825/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885CREBBP 2807/4885LMNA 2945/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885CREBBP 2807/4885LMNA 2945/4885

“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.