SCHEMBL29912825

SCHEMBL29912825

O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)ccc2c1.[Al+3]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.69
▸ ALDH1A1 P00352 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ THRB P10828 4/20 0.52
▸ TDP1 Q9NUW8 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ APEX1 P27695 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PTPRA P18433 1/20 0.48
▸ PTPRB P23467 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
SCHEMBL93701 0.98 APP (0.72) APPALDH1A1MAPK1THRBTDP1
SCHEMBL93700 0.98 APP (0.72) APPALDH1A1MAPK1THRBTDP1
SCHEMBL29353967 0.98 APP (0.72) APPALDH1A1MAPK1THRBTDP1
SCHEMBL14471820 0.88 MAPK1 (0.74) APPALDH1A1MAPK1THRBTDP1
SCHEMBL5159519 0.88 MAPK1 (0.74) APPALDH1A1MAPK1THRBTDP1
SCHEMBL10621059 0.88 MAPK1 (0.73) APPALDH1A1MAPK1THRBTDP1
SCHEMBL1638375 0.88 MAPK1 (0.73) APPALDH1A1MAPK1THRBTDP1
SCHEMBL29421649 0.88 MAPK1 (0.73) APPALDH1A1MAPK1THRBTDP1
SCHEMBL29408777 0.84 THRB (0.58) APPALDH1A1MAPK1THRBTDP1
SCHEMBL29366329 0.84 THRB (0.65) APPALDH1A1MAPK1THRBTDP1

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-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants BASF SE (DE) 2022-07-12 — — 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-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP APP 3617/4885ALDH1A1 1062/4885MAPK1 3560/4885

“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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