SCHEMBL14601743

SCHEMBL14601743

Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/c3ccc(NS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.58
▸ LMNA P02545 1/20 0.52
▸ RAD51 Q06609 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ GAA P10253 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ IDH1 O75874 1/20 0.48
▸ CCR2 P41597 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ MAPK1 P28482 1/20 0.46

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 0.82 RAD51 (0.54) ALDH1A1LMNARAD51POLBMAPT
SCHEMBL14601740 0.81 L3MBTL1 (0.56) ALDH1A1LMNARAD51GAAMAPT
SCHEMBL23853937 0.80 RAD51 (0.76) ALDH1A1LMNARAD51GAAMAPT
SCHEMBL7580299 0.80 ALDH1A1 (0.68) ALDH1A1LMNAPOLBGAACCR2
SCHEMBL96167 0.76 ALDH1A1 (0.70) ALDH1A1LMNAPOLBGAAMAPT
SCHEMBL7571637 0.76 ALDH1A1 (0.62) ALDH1A1LMNAPOLBGAAMAPT
SCHEMBL5227535 0.75 ALDH1A1 (0.69) ALDH1A1LMNAPOLBMAPTIDH1
SCHEMBL23852173 0.75 RAD51 (0.72) ALDH1A1LMNARAD51GAAPKM
SCHEMBL7573014 0.75 ALDH1A1 (0.68) ALDH1A1LMNAPOLBGAAMAPT
SCHEMBL6831222 0.75 ALDH1A1 (0.74) ALDH1A1LMNAPOLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 — — US disclosed
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 ALDH1A1 2163/4885LMNA 4385/4885RAD51 3439/4885

“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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