SCHEMBL45822

SCHEMBL45822

O=C1c2ccccc2C(=O)c2oc([S+]([O-])c3ccc(F)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.42
ALDH1A1 P00352 2/20 0.42
USP1 O94782 1/20 0.41
USP19 O94966 1/20 0.41
UCHL3 P15374 1/20 0.41
CASP3 P42574 3/20 0.37
MAPT P10636 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
NPC1 O15118 1/20 0.37
MAOB P27338 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NTRK1 P04629 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33

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
SCHEMBL45659 0.90 ALDH1A1 (0.33) STAT3ALDH1A1USP1USP19UCHL3
SCHEMBL45829 0.90 USP1 (0.38) STAT3ALDH1A1USP1USP19UCHL3
SCHEMBL15024251 0.86 ALDH1A1 (0.46) STAT3ALDH1A1CASP3MAPTSENP8
SCHEMBL15024389 0.83 ELANE (0.35) STAT3ALDH1A1MAPTMAOBMEN1
SCHEMBL45638 0.76 ALDH1A1 (0.53) STAT3ALDH1A1USP1USP19CASP3
SCHEMBL45671 0.75 ALDH1A1 (0.45) STAT3ALDH1A1USP1USP19UCHL3
SCHEMBL15026353 0.74 ALDH1A1 (0.44) STAT3ALDH1A1USP1USP19UCHL3
SCHEMBL45660 0.73 STAT3 (0.37) STAT3ALDH1A1USP1USP19UCHL3
SCHEMBL45738 0.71 ALDH1A1 (0.33) STAT3ALDH1A1USP8USP7
SCHEMBL16167166 0.70 STAT3 (0.56) STAT3ALDH1A1USP1USP19UCHL3

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 282/4885USP1 4540/4885

“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.