SCHEMBL45647

SCHEMBL45647

O=C1c2ccccc2C(=O)c2oc(S(=O)(=O)C(F)(F)F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.39
CDC25B P30305 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
APAF1 O14727 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL15026352 0.85 USP8 (0.35) STAT3ALDH1A1USP8USP7USP1
SCHEMBL45695 0.78 STAT3 (0.56) STAT3ALDH1A1MEN1CDC25BKMT2A
SCHEMBL15026353 0.74 ALDH1A1 (0.44) STAT3ALDH1A1MEN1CDC25BKMT2A
SCHEMBL22325652 0.72 ALDH1A1 (0.53) STAT3ALDH1A1MEN1CDC25BKMT2A
SCHEMBL16167166 0.72 STAT3 (0.56) STAT3ALDH1A1MEN1CDC25BKMT2A
SCHEMBL15024250 0.71 ALDH1A1 (0.48) STAT3ALDH1A1MEN1KMT2AHTT
SCHEMBL45671 0.69 ALDH1A1 (0.45) STAT3ALDH1A1MEN1CDC25BKMT2A
SCHEMBL28705 0.68 STAT3 (0.56) STAT3ALDH1A1MEN1CDC25BKMT2A
SCHEMBL6577994 0.68 STAT3 (0.61) STAT3ALDH1A1MEN1CDC25BKMT2A
SCHEMBL22325627 0.68 ALDH1A1 (0.56) STAT3ALDH1A1MEN1CDC25BKMT2A

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-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
WO-2012024818-A1 NOVEL ANPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-03-01 WO 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 282/4885MEN1 1695/4885

“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.