SCHEMBL15006560

SCHEMBL15006560

CS(=O)(=O)C=C(O)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 6/20 0.61
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 6/20 0.38
MAPT P10636 6/20 0.38
HTT P42858 5/20 0.38
MEN1 O00255 5/20 0.38
LMNA P02545 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
THRB P10828 3/20 0.38
ATM Q13315 3/20 0.38
HKDC1 Q2TB90 3/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL45662 1.00 STAT3 (0.61) STAT3ALDH1A1KMT2AMAPTHTT
SCHEMBL18730820 0.85 STAT3 (0.69) STAT3ALDH1A1KMT2AMAPTHTT
SCHEMBL18730837 0.79 STAT3 (0.60) STAT3ALDH1A1KMT2AMAPTHTT
SCHEMBL45742 0.78 STAT3 (0.58) STAT3ALDH1A1KMT2AMAPTHTT
Napabucasin SCHEMBL1883845 0.77 STAT3 (1.00) STAT3ALDH1A1KMT2AMAPTHTT
SCHEMBL12640087 0.77 STAT3 (0.75) STAT3ALDH1A1KMT2AMAPTHTT
Napabucasin SCHEMBL29349770 0.77 STAT3 (1.00) STAT3ALDH1A1KMT2AMAPTHTT
SCHEMBL15024564 0.76 STAT3 (0.56) STAT3ALDH1A1KMT2AMAPTHTT
SCHEMBL18730964 0.75 STAT3 (0.51) STAT3ALDH1A1KMT2AMAPTHTT
SCHEMBL16917433 0.74 STAT3 (0.76) STAT3ALDH1A1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871802-B2 Naphthoquinones for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2014-10-28 US disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US 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-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 STAT3 1764/4885ALDH1A1 282/4885KMT2A 2722/4885

“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.