SCHEMBL756808

SCHEMBL756808

Cn1ncnc1-c1cc(=O)c2c(OS(=O)(=O)C(F)(F)F)cccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 3/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLH Q9Y253 1/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL755081 0.82 PLG (0.49) ARALDH1A1KDM4EHPGDCYP3A4
SCHEMBL752231 0.79 AR (0.56) ARALDH1A1KDM4EHPGDCYP3A4
SCHEMBL757274 0.78 BCHE (0.50) ARALDH1A1KDM4EHPGDCYP3A4
SCHEMBL753327 0.78 AR (0.47) ARALDH1A1KDM4EHPGDCYP3A4
SCHEMBL752352 0.72 AR (0.40) ARALDH1A1KDM4EHPGDCYP3A4
SCHEMBL4929225 0.71 ALDH1A1 (0.43) ARALDH1A1KDM4EHPGDCYP3A4
SCHEMBL16921594 0.71 BRD4 (0.58) ARALDH1A1KDM4EHPGDCYP3A4
SCHEMBL16908927 0.70 BRD4 (0.47) POLHBCHEACHEPLGELANE
SCHEMBL752863 0.69 BRD4 (0.44) KDM4EMAPTLMNABCHEACHE
SCHEMBL17847645 0.66 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 10 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 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 (2 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 AR 469/4885ALDH1A1 424/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI AR 469/4885ALDH1A1 424/4885KDM4E 382/4885

“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.