SCHEMBL14601740

SCHEMBL14601740

O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(/C=C/c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ PGR P06401 1/20 0.55
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ MMP1 P03956 1/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ RAD51 Q06609 1/20 0.53
▸ DDX3X O00571 1/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ HSPD1 P10809 1/20 0.52
▸ PTPN2 P17706 1/20 0.52
▸ PTPN1 P18031 1/20 0.52
▸ PTPN5 P54829 1/20 0.52
▸ HSPE1 P61604 1/20 0.52
▸ AR P10275 1/20 0.50
▸ MEN1 O00255 2/20 0.49

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
SCHEMBL14601738 0.88 RAD51 (0.54) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL14601742 0.82 PKM (0.58) ALDH1A1PGRRAD51KMT2APTPN2
SCHEMBL23852173 0.81 RAD51 (0.72) ALDH1A1CA1CA2RAD51KMT2A
SCHEMBL14601743 0.81 ALDH1A1 (0.58) ALDH1A1RAD51KMT2AMEN1GAA
SCHEMBL6815530 0.78 RAD51 (0.55) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL14601739 0.78 HSD17B2 (0.59) ALDH1A1PGRCA1CA2MMP1
SCHEMBL14601737 0.77 RAD51 (0.66) ALDH1A1PGRRAD51KMT2AMEN1
SCHEMBL670637 0.77 RAD51 (0.56) ALDH1A1RAD51KMT2AMEN1GAA
SCHEMBL455776 0.77 RAD51 (0.56) ALDH1A1RAD51KMT2AMEN1GAA
SCHEMBL29356717 0.77 RAD51 (0.56) ALDH1A1RAD51KMT2AMEN1GAA

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-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 — — 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-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 L3MBTL1 3666/4885ALDH1A1 2163/4885PGR 1375/4885

“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.

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