SCHEMBL436388

SCHEMBL436388

CC(C)(SS)C(N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
KIF11 P52732 1/20 0.34
SLC7A5 Q01650 2/20 0.33
SLC7A11 Q9UPY5 1/20 0.32
RNPEP Q9H4A4 1/20 0.31
GRIK1 P39086 1/20 0.31
ENPEP Q07075 2/20 0.30
BHMT Q93088 3/20 0.30

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
SCHEMBL6234510 0.80 ALDH1A1 (0.54) PTGS1ALDH1A1MAPTKIF11SLC7A5
SCHEMBL2875767 0.80 ALDH1A1 (0.54) PTGS1ALDH1A1MAPTKIF11SLC7A5
SCHEMBL6555262 0.80 ALDH1A1 (0.54) PTGS1ALDH1A1MAPTKIF11SLC7A5
SCHEMBL6501684 0.80 ALDH1A1 (0.54) PTGS1ALDH1A1MAPTKIF11SLC7A5
SCHEMBL12438551 0.80 ALDH1A1 (0.54) PTGS1ALDH1A1MAPTKIF11SLC7A5
SCHEMBL7418366 0.78 ALDH1A1 (0.52) PTGS1ALDH1A1MAPTKIF11SLC7A5
SCHEMBL7876560 0.78 ALDH1A1 (0.52) PTGS1ALDH1A1MAPTKIF11SLC7A5
SCHEMBL7184921 0.78 ALDH1A1 (0.52) PTGS1ALDH1A1MAPTKIF11SLC7A5
SCHEMBL18738130 0.76 ALDH1A1 (0.50) PTGS1ALDH1A1MAPTKIF11SLC7A5
SCHEMBL21443801 0.76 ALDH1A1 (0.50) PTGS1ALDH1A1MAPTKIF11SLC7A5

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-11-02 US disclosed
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-11-02 US disclosed
US-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2023-09-21 US disclosed
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2023-08-08 US disclosed
US-20230000836-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-01-05 US disclosed
US-11369590-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2022-06-28 US disclosed
US-11344623-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2022-05-31 US disclosed
US-11318121-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2022-05-03 US disclosed
US-20210338641-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2021-11-04 US disclosed
US-20210322388-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2021-10-21 US disclosed
US-20110288152-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2011-11-24 US disclosed
US-20110288152-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2011-11-24 US disclosed
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-12-23 US disclosed
US-20100048490-A1 BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS ENDOCYTE, INC. 2010-02-25 US disclosed
US-20100048490-A1 BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS ENDOCYTE, INC. 2010-02-25 US disclosed
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VLAHOV IONTCHO R 2010-01-07 US disclosed
US-20080280937-A1 Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives ENDOCYTE, INC. 2008-11-13 US disclosed
US-20080280937-A1 Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives ENDOCYTE, INC. 2008-11-13 US disclosed
US-20080248052-A1 Vitamin receptor binding drug delivery conjugate ENDOCYTE, INC. 2008-10-09 US disclosed
WO-2008101231-A2 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE ENDOCYTE, INC. (US) 2008-08-21 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 (15 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-11344623-B2 Cholecystokinin B receptor targeting for imaging and therapy CCKBR, CCKAR, GRPR PTGS1 3860/4885ALDH1A1 4601/4885MAPT 3275/4885
US-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 PTGS1 4023/4885ALDH1A1 2843/4885MAPT 575/4885
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 PTGS1 2752/4885ALDH1A1 931/4885MAPT 2888/4885
US-20110288152-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 PTGS1 3928/4885ALDH1A1 2290/4885MAPT 1738/4885
US-20080248052-A1 Vitamin receptor binding drug delivery conjugate VDR, HCAR1, FOLR1 PTGS1 2442/4885ALDH1A1 661/4885MAPT 3359/4885
US-20210322388-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 PTGS1 4023/4885ALDH1A1 2843/4885MAPT 575/4885
US-11369590-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 PTGS1 4023/4885ALDH1A1 2843/4885MAPT 575/4885
US-11318121-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 PTGS1 4023/4885ALDH1A1 2843/4885MAPT 575/4885
US-20210338641-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 PTGS1 4023/4885ALDH1A1 2843/4885MAPT 575/4885
US-20080280937-A1 Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives VDR, HCAR1, FOLR1 PTGS1 4689/4885ALDH1A1 247/4885MAPT 1826/4885
US-20230000836-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 PTGS1 4023/4885ALDH1A1 2843/4885MAPT 575/4885
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 PTGS1 4023/4885ALDH1A1 2843/4885MAPT 575/4885
US-20100048490-A1 BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS TEK, TEKT1, VDR PTGS1 3777/4885ALDH1A1 4606/4885MAPT 2170/4885
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 PTGS1 4023/4885ALDH1A1 2843/4885MAPT 575/4885
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 PTGS1 4023/4885ALDH1A1 2843/4885MAPT 575/4885

“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.