SCHEMBL14612713

SCHEMBL14612713

[N-]=[N+]=NCC[C@H](NN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 3/20 0.41
▸ FOLH1 Q04609 1/20 0.31
▸ RIMKLA Q8IXN7 1/20 0.31
▸ NAALAD2 Q9Y3Q0 1/20 0.31
▸ GGH Q92820 1/20 0.30

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
SCHEMBL27041682 0.81 GGH (0.33) FOLH1RIMKLANAALAD2GGH
SCHEMBL27041677 0.81 GGH (0.33) FOLH1RIMKLANAALAD2GGH
SCHEMBL20009572 0.74 GNPAT (0.54) GNPATFOLH1RIMKLANAALAD2
SCHEMBL15485862 0.74 NOS2 (0.47) —
SCHEMBL28161141 0.74 NOS2 (0.47) —
SCHEMBL14087200 0.74 NOS2 (0.47) —
SCHEMBL14164385 0.74 NOS2 (0.47) —
SCHEMBL30552373 0.74 NOS2 (0.47) —
SCHEMBL20009714 0.73 NOD1 (0.48) GNPATFOLH1RIMKLANAALAD2
Hydrochloric Acid SCHEMBL21437407 0.72 NOS2 (0.46) —

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-20070037964-A1 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-15 — — 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-20070037964-A1 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product PTMS, PHOSPHO1, QPCT GNPAT 612/4885FOLH1 169/4885RIMKLA 382/4885

“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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