SCHEMBL2368602

SCHEMBL2368602

CCCP(O)(=S)OC(CCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.38
CYP1A2 P05177 1/20 0.36
GGH Q92820 1/20 0.36
GRM3 Q14832 2/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
TET2 Q6N021 2/20 0.33
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL2368691 0.91 AKR1B1 (0.36) FOLH1
SCHEMBL2368121 0.87 FOLH1 (0.39) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL1373642 0.82 FOLH1 (0.42) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL2368444 0.80 GGH (0.43) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL1373663 0.77 FOLH1 (0.41) FOLH1GGHGRM3NAALAD2
SCHEMBL2368604 0.75 FOLH1 (0.36) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL2368593 0.75 HDAC3 (0.46) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1376189 0.75 FOLH1 (0.44) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL1377043 0.74 GGH (0.49) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL5053159 0.73 FOLH1 (0.50) FOLH1CYP1A2GGHGRM3NAALAD2

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 1/4885CYP1A2 4797/4885GGH 205/4885
US-20200283748-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885CYP1A2 4797/4885GGH 205/4885
US-11155800-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 FOLH1 1/4885CYP1A2 4797/4885GGH 205/4885
US-12091693-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 FOLH1 1/4885CYP1A2 4797/4885GGH 205/4885
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885CYP1A2 4797/4885GGH 205/4885
US-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885CYP1A2 4797/4885GGH 205/4885
US-10557128-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 FOLH1 1/4885CYP1A2 4797/4885GGH 205/4885
US-20190002861-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885CYP1A2 4797/4885GGH 205/4885

“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.