SCHEMBL5101941

SCHEMBL5101941

Cc1cc(C)n(C(=O)c2ccc(C(=O)/C=C/c3ccc4cc(S(N)(=O)=O)ccc4n3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.46
ALPL P05186 5/20 0.46
XIAP P98170 5/20 0.46
POLB P06746 1/20 0.44
PFKFB3 Q16875 3/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL1386425 1.00 ENPP3 (0.46) ENPP3ALPLXIAPPOLBPFKFB3
SCHEMBL1384116 0.83 ENPP3 (0.58) ENPP3ALPLXIAPPFKFB3ALDH1A1
SCHEMBL5101980 0.81 PFKFB3 (0.41) POLBPFKFB3HDAC6
SCHEMBL1385852 0.81 PFKFB3 (0.41) POLBPFKFB3HDAC6
SCHEMBL5096130 0.81 PFKFB3 (0.52) PFKFB3ALDH1A1KDM4EHDAC6
SCHEMBL5096126 0.81 PFKFB3 (0.52) PFKFB3ALDH1A1KDM4EHDAC6
SCHEMBL5096089 0.73 ALDH1A1 (0.48) ENPP3ALPLXIAPALDH1A1KDM4E
SCHEMBL5101983 0.69 ENPP3 (0.52) ENPP3ALPLXIAPPOLBALDH1A1
SCHEMBL1384115 0.67 ENPP3 (0.56) ENPP3ALPLXIAPALDH1A1KDM4E
SCHEMBL5090125 0.65 LMNA (0.49) KDM4EGAA

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 4 patents. 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 claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP disclosed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 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-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 ENPP3 4182/4885ALPL 3366/4885XIAP 1980/4885

“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.