SCHEMBL1377582

SCHEMBL1377582

N=S(=O)(CC(CCC(=O)O)C(=O)O)C(CCCc1ccccc1)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.49
MMP2 P08253 3/20 0.48
MMP1 P03956 2/20 0.48
MMP3 P08254 2/20 0.48
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 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
SCHEMBL7606201 0.89 CPA3 (0.57) CPA3MMP2MMP1MMP3MMP9
SCHEMBL1376180 0.78 CPA3 (0.59) CPA3MMP2MMP1MMP3MMP9
SCHEMBL7611631 0.78 CPA3 (0.56) CPA3FOLH1KEAP1
SCHEMBL7350860 0.75 CPA3 (0.71) CPA3MMP3HDAC3MAPK1ADRA1A
SCHEMBL1377040 0.75 CPA3 (0.62) CPA3MMP2MMP1MMP3MMP9
SCHEMBL7052257 0.74 CPA3 (0.60) CPA3MMP2MMP1MMP3MMP9
SCHEMBL21973772 0.72 FOLH1 (0.56) CPA3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL1373606 0.72 CPA3 (0.66) CPA3FOLH1KEAP1
SCHEMBL8461667 0.71 HDAC3 (0.42) MMP2MMP1MMP3MMP9MMP8
SCHEMBL7075141 0.71 MMP2 (0.80) MMP2MMP1MMP3MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001521512-A 2001-11-06 JP claimed
EP-1019369-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2000-07-19 EP claimed
WO-1998045257-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-10-15 WO claimed
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-11318121-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2022-05-03 US disclosed
US-20220125958-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY PURDUE RESEARCH FOUNDATION 2022-04-28 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-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-12-23 US disclosed
EP-2187965-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-05-26 EP disclosed
WO-2009026177-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2009-02-26 WO disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
EP-1019369-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2000-07-19 EP disclosed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
WO-1998045257-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-10-15 WO disclosed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 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 (10 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-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885MMP2 2959/4885MMP1 3306/4885
US-20110288152-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 377/4885MMP2 1783/4885MMP1 3300/4885
US-20210322388-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885MMP2 2959/4885MMP1 3306/4885
US-11369590-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885MMP2 2959/4885MMP1 3306/4885
US-11318121-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885MMP2 2959/4885MMP1 3306/4885
US-20210338641-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885MMP2 2959/4885MMP1 3306/4885
US-20230000836-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885MMP2 2959/4885MMP1 3306/4885
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885MMP2 2959/4885MMP1 3306/4885
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885MMP2 2959/4885MMP1 3306/4885
US-20220125958-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY FOLH1, FOLR2, FOLR1 CPA3 611/4885MMP2 3053/4885MMP1 2821/4885

“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.