SCHEMBL2488049

SCHEMBL2488049

COC(=O)C(O)=CC(=O)c1ccc(Cc2ccc(F)cc2OC(C)C)o1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
POLB P06746 1/20 0.33
PTGER1 P34995 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX3 P56373 7/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL2488101 0.90 HTT (0.39) HTTPOLBFFAR4
SCHEMBL2486904 0.88 HTT (0.39) HTTPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL756455 0.81 PTGER1 (0.39) HTTPOLBPTGER1NPSR1
SCHEMBL6811411 0.81 HTT (0.34) HTTPOLBCA12CA1CA2
SCHEMBL765511 0.81 HTT (0.34) HTTPOLBCA12CA1CA2
SCHEMBL756172 0.81 HTT (0.46) HTTPOLBNPSR1CA12CA1
SCHEMBL756171 0.81 HTT (0.46) HTTPOLBNPSR1CA12CA1
SCHEMBL16925397 0.79 ALDH1A1 (0.42) HTTPOLBCYP2C19
SCHEMBL2490056 0.78 ALDH1A1 (0.39) HTTP2RX3CYP2C9CYP2C19FFAR4
SCHEMBL2514379 0.76 HTT (0.41) HTTPOLB

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
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-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
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 HTT 4561/4885POLB 89/4885PTGER1 4133/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885POLB 107/4885PTGER1 3786/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885POLB 107/4885PTGER1 3786/4885

“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.