SCHEMBL2486539

SCHEMBL2486539

CC(C)(C)OC(=O)NCCCC(=O)c1cccc(Cc2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
SIGMAR1 Q99720 2/20 0.42
CYP3A4 P08684 1/20 0.41
GRM2 Q14416 1/20 0.39
GLS O94925 1/20 0.39
SNCA P37840 1/20 0.39
IDO1 P14902 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
GNRHR P30968 1/20 0.38
PPARA Q07869 1/20 0.38
BRD4 O60885 1/20 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
SCHEMBL2241024 0.85 CA1 (0.48) GAACA1CA2SIGMAR1CYP3A4
SCHEMBL24350075 0.83 NPC1 (0.54) POLBGAACA1CA2
SCHEMBL17410238 0.78 CA1 (0.48) CA1CA2CYP3A4IDO1BRD4
SCHEMBL753332 0.78 GAA (0.49) POLBGAACA1CA2SIGMAR1
SCHEMBL6239081 0.78 CTSS (0.44) GAACA1CA2CTSSCTSK
SCHEMBL1929771 0.78 SIGMAR1 (0.52) GAACA1CA2SIGMAR1CYP3A4
SCHEMBL3569604 0.78 MAPT (0.48) POLBGAACA1CA2
SCHEMBL24310073 0.77 PTPN1 (0.55) SIGMAR1
SCHEMBL3571655 0.77 CA1 (0.47) GAACA1CA2SIGMAR1CYP3A4
SCHEMBL14366353 0.76 MAPT (0.48) POLBCA1CA2CYP3A4BRD4

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 8 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 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 POLB 89/4885GAA 1106/4885CA1 4794/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI POLB 107/4885GAA 1442/4885CA1 4422/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI POLB 107/4885GAA 1442/4885CA1 4422/4885

“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.