SCHEMBL2368141

SCHEMBL2368141

O=C(O)CC[C@H](NP(O)(=S)CCCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGH Q92820 2/20 0.54
NAALAD2 Q9Y3Q0 2/20 0.48
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
FOLH1 Q04609 4/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL2368135 1.00 GGH (0.54) GGHNAALAD2HDAC3HDAC1HDAC2
SCHEMBL1377528 0.86 GGH (0.59) GGHNAALAD2HDAC3HDAC1HDAC2
SCHEMBL1377529 0.86 GGH (0.59) GGHNAALAD2HDAC3HDAC1HDAC2
SCHEMBL2368758 0.84 GGH (0.59) GGHNAALAD2FOLH1GAACPA3
SCHEMBL2368764 0.84 GGH (0.59) GGHNAALAD2FOLH1GAACPA3
SCHEMBL5057815 0.82 GGH (0.58) GGHNAALAD2HDAC3HDAC1HDAC2
SCHEMBL5059860 0.80 GGH (0.62) GGHNAALAD2FOLH1GAACPA1
SCHEMBL2368136 0.80 GGH (0.52) GGHNAALAD2HDAC3HDAC1HDAC2
SCHEMBL2368999 0.78 GGH (0.55) GGHNAALAD2FOLH1
SCHEMBL2368994 0.78 GGH (0.55) GGHNAALAD2FOLH1

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 47/4885HDAC3 3315/4885
US-20200283748-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885HDAC3 3315/4885
US-11155800-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885HDAC3 3315/4885
US-12091693-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885HDAC3 3315/4885
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885HDAC3 3315/4885
US-20160151508-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885HDAC3 3315/4885
US-10557128-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885HDAC3 3315/4885
US-20190002861-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 GGH 205/4885NAALAD2 47/4885HDAC3 3315/4885

“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.