SCHEMBL7053102

SCHEMBL7053102

O=C(O)CCC(CSCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 2/20 0.63
CYP2C19 P33261 1/20 0.57
FOLH1 Q04609 3/20 0.49
CYP1A2 P05177 1/20 0.46
CPA1 P15085 2/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45

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
SCHEMBL5418068 0.86 CYP1A2 (0.55) CPA3CYP2C19FOLH1CYP1A2CPA1
SCHEMBL7076099 0.84 GRIK1 (0.59) CYP2C19FOLH1CYP1A2CPB2
SCHEMBL27682962 0.81 CYP1A2 (0.50) CPA3CYP2C19FOLH1CYP1A2CPA1
SCHEMBL7434987 0.81 CYP1A2 (0.66) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL9224446 0.81 CYP2C19 (0.46) CYP2C19FOLH1CYP1A2
SCHEMBL7608459 0.81 CPA3 (0.63) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL9107156 0.80 CNR2 (0.47) FOLH1
SCHEMBL8500821 0.80 CYP1A2 (0.53) CPA3CYP2C19CYP1A2CPA1
SCHEMBL8500824 0.80 CYP1A2 (0.53) CPA3CYP2C19CYP1A2CPA1
SCHEMBL22647059 0.78 FOLH1 (0.79) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 US disclosed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
EP-1019369-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2000-07-19 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors NAALAD2, DNPEP, DPP9 CPA3 193/4885CYP2C19 3044/4885FOLH1 56/4885

“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.