SCHEMBL14601741

SCHEMBL14601741

O=S(=O)(O)c1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1/C=C/c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1S(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ PFKFB3 Q16875 1/20 0.56
▸ TSHR P16473 1/20 0.55
▸ HDAC1 Q13547 3/20 0.55
▸ PGR P06401 1/20 0.52
▸ RORA P35398 1/20 0.51
▸ RORC P51449 1/20 0.51
▸ NR1H2 P55055 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ PTPN2 P17706 1/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ PTPN5 P54829 1/20 0.51
▸ BRD4 O60885 1/20 0.49
▸ SLC16A3 O15427 1/20 0.49
▸ RAD51 Q06609 1/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL14601744 0.81 GAA (0.62) ALDH1A1HTTHDAC1MEN1GAA
SCHEMBL23852173 0.80 RAD51 (0.72) ALDH1A1HTTHDAC1RAD51MEN1
SCHEMBL6981195 0.75 ALDH1A1 (0.60) ALDH1A1HTTPFKFB3TSHRHDAC1
SCHEMBL14601737 0.75 RAD51 (0.66) ALDH1A1HTTHDAC1PGRRAD51
SCHEMBL14601742 0.75 PKM (0.58) ALDH1A1HDAC1PGRPTPN2PTPN1
SCHEMBL3259317 0.75 ALDH1A1 (0.64) ALDH1A1HTTPFKFB3TSHRHDAC1
SCHEMBL9616665 0.75 ALDH1A1 (0.56) ALDH1A1HTTPFKFB3TSHRHDAC1
SCHEMBL3261087 0.75 TSHR (0.71) ALDH1A1HTTPFKFB3TSHRHDAC1
SCHEMBL9480187 0.74 ALDH1A1 (0.62) ALDH1A1HTTPFKFB3TSHRHDAC1
SCHEMBL812673 0.74 TSHR (0.74) ALDH1A1HTTPFKFB3TSHRHDAC1

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 2163/4885HTT 2299/4885PFKFB3 459/4885

“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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