SCHEMBL13041270

SCHEMBL13041270

C=C(C)C(=O)NCCCNS(=O)(=O)c1cc(S(=O)(=O)NCCCNC(=O)C(=C)C)c2ccc3c(S(=O)(=O)O)cc(O)c4ccc1c2c43

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
NPY5R Q15761 2/20 0.33
FABP4 P15090 4/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKLR P30613 1/20 0.30
MPL P40238 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL13039208 1.00 BRD4 (0.33) BRD4CA12CA9NPY5RFABP4
SCHEMBL10168476 0.90 ALDH1A1 (0.40) FABP4ALDH1A1MEN1POLBKMT2A
SCHEMBL13039223 0.89 TDP1 (0.34) BRD4CA12CA9NPY5RFABP4
SCHEMBL9962925 0.87
SCHEMBL13039204 0.84 LMNA (0.31) NPY5R
SCHEMBL2737180 0.82 FABP4 (0.34) BRD4CA12CA9NPY5RFABP4
SCHEMBL13039206 0.80 LMNA (0.32) NPY5R
SCHEMBL13039229 0.80
SCHEMBL5993446 0.80 PSMB8 (0.32) NPY5R
SCHEMBL13818157 0.79 FABP4 (0.32) BRD4CA12CA9NPY5RFABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279424-A1 HPTS-MONO AND BIS CYS-MA POLYMERIZABLE FLUORESCENT DYES FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2010-11-04 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-20100279424-A1 HPTS-MONO AND BIS CYS-MA POLYMERIZABLE FLUORESCENT DYES FOR USE IN ANALYTE SENSORS PTMS, PFAS, HMBS BRD4 2891/4885CA12 482/4885CA9 1057/4885

“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.