SCHEMBL1376183

SCHEMBL1376183

O=C(O)CCC(CN=S(=O)(Cc1ccccc1)Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 2/20 0.58
FOLH1 Q04609 1/20 0.46
CYP1A2 P05177 2/20 0.42
NAALAD2 Q9Y3Q0 2/20 0.42
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8208550 0.89 CPA3 (0.55) CPA3FOLH1CYP1A2NAALAD2CPA1
SCHEMBL1377036 0.87 CPA3 (0.54) CPA3FOLH1CYP1A2NAALAD2
SCHEMBL5057861 0.85 CPA3 (0.51) CPA3FOLH1CPB2
SCHEMBL3774843 0.81 CPA3 (0.51) CPA3FOLH1CYP1A2NAALAD2ALDH1A1
SCHEMBL1373606 0.79 CPA3 (0.66) CPA3FOLH1CYP1A2NAALAD2CPA1
SCHEMBL1374810 0.78 FOLH1 (0.47) FOLH1NAALAD2
SCHEMBL7052257 0.75 CPA3 (0.60) CPA3FOLH1CYP1A2NAALAD2CPA1
SCHEMBL3963424 0.74 CPA3 (1.00) CPA3FOLH1CYP1A2NAALAD2CPA1
SCHEMBL29088272 0.74 CPA3 (1.00) CPA3FOLH1CYP1A2NAALAD2CPA1
SCHEMBL1374295 0.74 FOLH1 (0.43) FOLH1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US claimed
JP-2002514185-A 2002-05-14 JP claimed
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
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 US claimed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP claimed
WO-1998045257-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-10-15 WO claimed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-11-02 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
EP-1019369-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2000-07-19 EP disclosed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 US disclosed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
US-5902817-A 2-SULFINYL OR SULFONYLPENTANDIOIC ACIDS; INHIBITORS OF N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE; GLUTAMATE ABNORMALITIES; PROSTATES; ANTIEPILEPTIC AND -ISCHEMIC AGENTS; STROKES; ANALGESICS; NERVOUS SYTEM INJURIES; GUILFORD PHARMACEUTICALS INC. (US) 1999-05-11 US 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 (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-11369590-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885FOLH1 1/4885CYP1A2 4799/4885
US-11318121-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885FOLH1 1/4885CYP1A2 4799/4885
US-20230000836-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885FOLH1 1/4885CYP1A2 4799/4885
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885FOLH1 1/4885CYP1A2 4799/4885
US-20220125958-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY FOLH1, FOLR2, FOLR1 CPA3 611/4885FOLH1 1/4885CYP1A2 4678/4885
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885FOLH1 1/4885CYP1A2 4799/4885

“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.