SCHEMBL2368049

SCHEMBL2368049

O=C(O)CCC(CP(=O)(SO)SCc1ccccn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.46
CPA3 P15088 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM3 Q14832 2/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
PTPRA P18433 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 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
SCHEMBL2368283 0.83 FOLH1 (0.54) FOLH1CPA3GRM3NAALAD2
SCHEMBL2368044 0.81 FOLH1 (0.44) FOLH1CPA3SMN1; SMN2GRM3NAALAD2
SCHEMBL2368621 0.80 FOLH1 (0.43) FOLH1CPA3SMN1; SMN2GRM3NAALAD2
SCHEMBL1373533 0.77 GRM3 (0.55) FOLH1GRM3
SCHEMBL2368228 0.76 SMN1; SMN2 (0.42) FOLH1SMN1; SMN2PTPRAALDH1A1CYP1A2
SCHEMBL5054263 0.76 GRM3 (0.57) FOLH1CPA3GRM3PTPRA
SCHEMBL2368164 0.75 FOLH1 (0.50) FOLH1CPA3GRM3NAALAD2
SCHEMBL7607528 0.75 GRM3 (0.52) FOLH1GRM3
SCHEMBL2368565 0.74 FOLH1 (0.50) FOLH1CPA3SMN1; SMN2
SCHEMBL5059809 0.74 FOLH1 (0.52) FOLH1CPA3GRM3NAALAD2

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 FOLH1 1/4885CPA3 521/4885SMN1; SMN2 3284/4885
US-20200283748-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885CPA3 521/4885SMN1; SMN2 3284/4885
US-11155800-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 FOLH1 1/4885CPA3 521/4885SMN1; SMN2 3284/4885
US-12091693-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 FOLH1 1/4885CPA3 521/4885SMN1; SMN2 3284/4885
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885CPA3 521/4885SMN1; SMN2 3284/4885
US-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885CPA3 521/4885SMN1; SMN2 3284/4885
US-10557128-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 FOLH1 1/4885CPA3 521/4885SMN1; SMN2 3284/4885
US-20190002861-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885CPA3 521/4885SMN1; SMN2 3284/4885

“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.