SCHEMBL2368115

SCHEMBL2368115

O=C(O)CCC(NP(=O)(SO)Sc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GGH Q92820 2/20 0.58
▸ NAALAD2 Q9Y3Q0 4/20 0.45
▸ GAA P10253 1/20 0.44
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ FOLH1 Q04609 5/20 0.40
▸ RIMKLA Q8IXN7 1/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ MME P08473 1/20 0.38
▸ ECE1 P42892 1/20 0.38

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
SCHEMBL2368768 0.83 GGH (0.54) GGHNAALAD2GAAMMP9MMP8
SCHEMBL2368895 0.79 GGH (0.60) GGHNAALAD2FOLH1RIMKLA
SCHEMBL2368107 0.79 GGH (0.68) GGHNAALAD2GAAMMP9MMP8
SCHEMBL2368144 0.79 GGH (0.50) GGHNAALAD2FOLH1
SCHEMBL2368762 0.77 GGH (0.57) GGHNAALAD2GAAMMP9MMP8
SCHEMBL2368270 0.75 GGH (0.55) GGHNAALAD2FOLH1RIMKLA
SCHEMBL1377570 0.74 GGH (1.00) GGHNAALAD2GAAMMP9MMP8
SCHEMBL1377572 0.74 GGH (1.00) GGHNAALAD2GAAMMP9MMP8
SCHEMBL2368955 0.73 GGH (0.53) GGHNAALAD2FOLH1RIMKLACA2
SCHEMBL8558698 0.73 NAALAD2 (0.51) GGHNAALAD2GAAMMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091693-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2024-09-17 — — US disclosed
US-20220098564-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2022-03-31 — — US disclosed
US-11155800-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2021-10-26 — — US disclosed
US-20200283748-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2020-09-10 — — US disclosed
US-10557128-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2020-02-11 — — US disclosed
US-20190002861-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2019-01-03 — — US disclosed
US-9951324-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2018-04-24 — — US disclosed
US-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2016-06-02 — — US disclosed
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2012-12-20 — — US disclosed
WO-2011106639-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2011-09-01 — — WO 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 (8 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-20220098564-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885GAA 424/4885
US-20200283748-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885GAA 424/4885
US-11155800-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885GAA 424/4885
US-12091693-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885GAA 424/4885
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885GAA 424/4885
US-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885GAA 424/4885
US-10557128-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885GAA 424/4885
US-20190002861-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885GAA 424/4885

“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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