SCHEMBL5597781

SCHEMBL5597781

O=C(Cl)c1cc(Br)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.57
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
RECQL P46063 1/20 0.53
CA2 P00918 2/20 0.52
MMP2 P08253 2/20 0.52
CA1 P00915 1/20 0.52
MMP1 P03956 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
KMT2A Q03164 3/20 0.51
METAP2 P50579 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48

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
SCHEMBL5598179 0.82 SLC10A6 (0.59) DDX3XKMT2AMAPTALDH1A1CRHBP
SCHEMBL5598392 0.82 SLC25A1 (0.64) CA2CA1METAP2MAPTCRHBP
SCHEMBL5597716 0.78 ALDH1A1 (0.59) KMT2AMETAP2MAPTALDH1A1MEN1
SCHEMBL5597721 0.78 METAP2 (0.80) METAP2FLT1FLT4KDRSLC10A2
SCHEMBL23928394 0.76 ALDH1A1 (0.71) DDX3XCA2MMP2CA1MMP1
SCHEMBL5467045 0.76 DDX3X (0.69) DDX3XCYP3A4CYP2C9RECQLCA2
SCHEMBL10529379 0.75 CRHBP (0.82) DDX3XCA2MMP2CA1MMP1
SCHEMBL5467189 0.74 DDX3X (0.66) DDX3XCYP3A4CYP2C9RECQLCA2
SCHEMBL28730744 0.73 CRHBP (0.62) DDX3XCA2MMP2CA1MMP1
SCHEMBL5228229 0.73 CRHBP (0.70) DDX3XCA2MMP2CA1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-7119120-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-10-10 US disclosed
EP-1465638-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-10-13 EP disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003057225-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-07-17 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 (2 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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 DDX3X 2181/4885CYP3A4 1515/4885CYP2C9 1053/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 DDX3X 2590/4885CYP3A4 1384/4885CYP2C9 1068/4885

“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.