SCHEMBL5096126

SCHEMBL5096126

NS(=O)(=O)c1ccc2nc(/C=C/C(=O)c3ccc(C(=O)O)cc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.52
CYSLTR2 Q9NS75 2/20 0.52
CYSLTR1 Q9Y271 2/20 0.52
CA2 P00918 6/20 0.47
CA9 Q16790 5/20 0.47
CA1 P00915 5/20 0.47
CA12 O43570 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA3 P07451 1/20 0.47
CA6 P23280 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
P4HB P07237 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 3/20 0.39

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
SCHEMBL5096130 1.00 PFKFB3 (0.52) PFKFB3CYSLTR2CYSLTR1CA2CA9
SCHEMBL5101941 0.81 ENPP3 (0.46) PFKFB3HDAC6KDM4EALDH1A1
SCHEMBL1386425 0.81 ENPP3 (0.46) PFKFB3HDAC6KDM4EALDH1A1
SCHEMBL5101980 0.80 PFKFB3 (0.41) PFKFB3CYSLTR2CYSLTR1CA2CA9
SCHEMBL1385852 0.80 PFKFB3 (0.41) PFKFB3CYSLTR2CYSLTR1CA2CA9
SCHEMBL27665265 0.80 PFKFB3 (0.56) PFKFB3CYSLTR2CYSLTR1CYP2C19HDAC6
SCHEMBL27684619 0.78 PFKFB3 (0.51) PFKFB3CYSLTR2CYSLTR1HDAC6KDM4E
SCHEMBL5090111 0.77 PFKFB3 (0.65) PFKFB3CYSLTR2CYSLTR1HDAC6P4HB
SCHEMBL5090108 0.77 PFKFB3 (0.65) PFKFB3CYSLTR2CYSLTR1HDAC6P4HB
SCHEMBL10275157 0.77 PFKFB3 (0.74) PFKFB3CYSLTR2CYSLTR1CYP2C19HDAC6

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-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 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-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 PFKFB3 3216/4885CYSLTR2 1261/4885CYSLTR1 1328/4885

“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.