SCHEMBL437987

SCHEMBL437987

O=COCc1ccc(S)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SRC P12931 1/20 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
SCHEMBL11392894 0.88 CA2 (0.39) CA2CA9SRC
SCHEMBL11320245 0.81 IDO1 (0.41) CA2CA9SRC
SCHEMBL11316154 0.81 ESR1 (0.42) CA2CA9SRC
SCHEMBL437438 0.79 IDO1 (0.50) CA2
SCHEMBL11349144 0.78 CA12 (0.31) CA9
SCHEMBL9881633 0.77 CA2 (0.32) CA2CA9SRC
SCHEMBL17321077 0.77 TRPA1 (0.39) CA2CA9SRC
SCHEMBL177564 0.77 ALDH1A1 (0.44) CA2CA9
SCHEMBL513967 0.77 CYP3A4 (0.52)
SCHEMBL18544386 0.77 LTA4H (0.39) CA2CA9SRC

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 115 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-20220175875-A1 METHODS OF TREATING CANCER BY TARGETING TUMOR-ASSOCIATED MACROPHAGES ENDOCYTE INC (US) 2022-06-09 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-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-12-23 US disclosed
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-12-23 US disclosed
WO-2010045598-A2 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-04-22 WO 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-20080248052-A1 Vitamin receptor binding drug delivery conjugate ENDOCYTE, INC. 2008-10-09 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 (14 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 CA2 1100/4885CA9 497/4885SRC 1529/4885
US-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CA2 1961/4885CA9 121/4885SRC 3110/4885
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 CA2 2790/4885CA9 3577/4885SRC 2574/4885
US-20080248052-A1 Vitamin receptor binding drug delivery conjugate VDR, HCAR1, FOLR1 CA2 2485/4885CA9 1844/4885SRC 3275/4885
US-11369590-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CA2 1961/4885CA9 121/4885SRC 3110/4885
US-11318121-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CA2 1961/4885CA9 121/4885SRC 3110/4885
US-20220175875-A1 METHODS OF TREATING CANCER BY TARGETING TUMOR-ASSOCIATED MACROPHAGES FOLR1, FOLR2, FOLH1 CA2 2781/4885CA9 507/4885SRC 3047/4885
US-20210338641-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CA2 1961/4885CA9 121/4885SRC 3110/4885
US-20080280937-A1 Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives VDR, HCAR1, FOLR1 CA2 3559/4885CA9 1645/4885SRC 2313/4885
US-20230000836-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CA2 1961/4885CA9 121/4885SRC 3110/4885
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CA2 1961/4885CA9 121/4885SRC 3110/4885
US-20100048490-A1 BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS TEK, TEKT1, VDR CA2 2222/4885CA9 3374/4885SRC 1141/4885
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CA2 1961/4885CA9 121/4885SRC 3110/4885
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CA2 1961/4885CA9 121/4885SRC 3110/4885

“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.