SCHEMBL2368167

SCHEMBL2368167

O=C(O)CCC(OP(O)(=S)Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.45
FOLH1 Q04609 2/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.40
GGH Q92820 1/20 0.40
SRR Q9GZT4 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL2368868 0.88 ALDH1A1 (0.35) CPA3FOLH1ALDH1A1TSHR
SCHEMBL1377537 0.84 FOLH1 (0.52) CPA3FOLH1NAALAD2GGHSRR
SCHEMBL2368593 0.84 HDAC3 (0.46) CPA3FOLH1KEAP1
SCHEMBL2368537 0.82 GGH (0.48) CPA3FOLH1NAALAD2GGHSRR
SCHEMBL2368223 0.82 SMN1; SMN2 (0.42) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL7647111 0.79 CPA3 (0.44) CPA3FOLH1NAALAD2GGHSRR
SCHEMBL2368169 0.78 CPA3 (0.43) CPA3FOLH1NAALAD2GGHSRR
SCHEMBL5051276 0.76 FOLH1 (0.50) CPA3FOLH1GGHCYP2D6TSHR
SCHEMBL5053058 0.76 FOLH1 (0.47) CPA3FOLH1GGHSRRALDH1A1
SCHEMBL2368121 0.75 FOLH1 (0.39) FOLH1NAALAD2GGHCYP1A2

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 CPA3 521/4885FOLH1 1/4885NAALAD2 47/4885
US-20200283748-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 521/4885FOLH1 1/4885NAALAD2 47/4885
US-11155800-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 521/4885FOLH1 1/4885NAALAD2 47/4885
US-12091693-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 521/4885FOLH1 1/4885NAALAD2 47/4885
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 521/4885FOLH1 1/4885NAALAD2 47/4885
US-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 521/4885FOLH1 1/4885NAALAD2 47/4885
US-10557128-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 521/4885FOLH1 1/4885NAALAD2 47/4885
US-20190002861-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 521/4885FOLH1 1/4885NAALAD2 47/4885

“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.