SCHEMBL756345

SCHEMBL756345

COC(=O)C(O)=CC(=O)c1ccc(Cc2ccc(F)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ABL1 P00519 1/20 0.38
ALOX5 P09917 4/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL756344 1.00 TP53 (0.40) TP53CA12CA1CA2CA9
SCHEMBL4678283 0.86 ALOX5 (0.40) TP53CA12CA1CA2CA9
SCHEMBL4678282 0.86 ALOX5 (0.40) TP53CA12CA1CA2CA9
SCHEMBL3310498 0.79 KDM4E (0.55) TP53ALDH1A1HPGDKDM4ENPC1
SCHEMBL3310503 0.79 KDM4E (0.55) TP53ALDH1A1HPGDKDM4ENPC1
SCHEMBL4679466 0.78 TP53 (0.50) TP53ABL1ALDH1A1HPGDKDM4E
SCHEMBL4679463 0.78 TP53 (0.50) TP53ABL1ALDH1A1HPGDKDM4E
SCHEMBL756171 0.78 HTT (0.46) TP53CA12CA1CA2CA9
SCHEMBL756172 0.78 HTT (0.46) TP53CA12CA1CA2CA9
SCHEMBL4676027 0.76 MAPT (0.39) TP53ABL1ALOX5ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TP53 948/4885CA12 4630/4885CA1 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.