SCHEMBL4512396

SCHEMBL4512396

Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(O)c(N)c2)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
MMP9 P14780 7/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
POLB P06746 1/20 0.53
MMP2 P08253 8/20 0.52
ADAMTS4 O75173 1/20 0.52
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL13604706 1.00 TDP1 (0.65) TDP1MMP9L3MBTL1MEN1KMT2A
SCHEMBL13604704 0.83 TDP1 (0.61) TDP1MMP9L3MBTL1MEN1KMT2A
SCHEMBL4528808 0.83 TDP1 (0.61) TDP1MMP9L3MBTL1MEN1KMT2A
SCHEMBL4516502 0.83 TDP1 (0.61) TDP1MMP9L3MBTL1MEN1KMT2A
SCHEMBL13604700 0.83 TDP1 (0.61) TDP1MMP9L3MBTL1MEN1KMT2A
SCHEMBL4522161 0.83 TDP1 (0.79) TDP1MMP9L3MBTL1MEN1KMT2A
SCHEMBL6252463 0.83 TDP1 (0.79) TDP1MMP9L3MBTL1MEN1KMT2A
SCHEMBL8063645 0.80 TDP1 (0.78) TDP1MMP9L3MBTL1MEN1KMT2A
SCHEMBL697476 0.80 MMP2 (0.79) TDP1MMP9POLBMMP2ADAMTS4
SCHEMBL697477 0.80 MMP2 (0.79) TDP1MMP9POLBMMP2ADAMTS4

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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 TDP1 1801/4885MMP9 3783/4885L3MBTL1 3540/4885

“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.