SCHEMBL7052257

SCHEMBL7052257

O=C(O)CCC(CS(=O)(=O)Cc1ccccc1)C(=O)O.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 2/20 0.60
FFAR1 O14842 1/20 0.51
KEAP1 Q14145 1/20 0.50
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
FOLH1 Q04609 1/20 0.45
CYP1A2 P05177 1/20 0.45
NAALAD2 Q9Y3Q0 2/20 0.44
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
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

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
SCHEMBL1373606 0.96 CPA3 (0.66) CPA3FFAR1KEAP1FOLH1CYP1A2
SCHEMBL1377040 0.87 CPA3 (0.62) CPA3FFAR1KEAP1MMP1MMP2
SCHEMBL7075232 0.85 MMP2 (0.60) CPA3MMP1MMP2MMP3MMP9
SCHEMBL1376180 0.84 CPA3 (0.59) CPA3FFAR1KEAP1MMP1MMP2
SCHEMBL7350860 0.78 CPA3 (0.71) CPA3FFAR1KEAP1MMP3FOLH1
SCHEMBL7606201 0.78 CPA3 (0.57) CPA3FFAR1KEAP1MMP1MMP2
SCHEMBL3963424 0.76 CPA3 (1.00) CPA3FOLH1CYP1A2NAALAD2CPA1
SCHEMBL29088272 0.76 CPA3 (1.00) CPA3FOLH1CYP1A2NAALAD2CPA1
SCHEMBL1376183 0.75 CPA3 (0.58) CPA3FOLH1CYP1A2NAALAD2CPA1
SCHEMBL7653680 0.74 CPA3 (0.56) CPA3FOLH1CYP1A2NAALAD2

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 2 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

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 193/4885FFAR1 3784/4885KEAP1 3129/4885

“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.