SCHEMBL2368482

SCHEMBL2368482

CCCC(=S)N(O)CC(CCC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.43
GRM3 Q14832 2/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL2369145 0.89 FOLH1 (0.44) FOLH1GRM3NAALAD2
SCHEMBL1374888 0.83 FOLH1 (0.46) FOLH1GRM3NAALAD2HDAC1HDAC2
SCHEMBL2368456 0.81 FOLH1 (0.47) FOLH1GRM3NAALAD2
SCHEMBL1377571 0.78 FOLH1 (0.47) FOLH1GRM3NAALAD2
SCHEMBL1377637 0.78 FOLH1 (0.50) FOLH1GRM3NAALAD2
SCHEMBL2368874 0.77 CPA3 (0.54) FOLH1NAALAD2HDAC1HDAC2ADRA1A
SCHEMBL2368769 0.77 FOLH1 (0.55) FOLH1GRM3NAALAD2
SCHEMBL2368373 0.75 CPA3 (0.55) FOLH1NAALAD2
SCHEMBL2368738 0.75 CPA3 (0.51) FOLH1HDAC1HDAC2ADRA1ASLC6A3
SCHEMBL2368852 0.74 FOLH1 (0.47) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (6 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-20200283748-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885GRM3 791/4885NAALAD2 47/4885
US-11155800-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 FOLH1 1/4885GRM3 791/4885NAALAD2 47/4885
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885GRM3 791/4885NAALAD2 47/4885
US-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885GRM3 791/4885NAALAD2 47/4885
US-10557128-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 FOLH1 1/4885GRM3 791/4885NAALAD2 47/4885
US-20190002861-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 FOLH1 1/4885GRM3 791/4885NAALAD2 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.