SCHEMBL7053788

SCHEMBL7053788

CS(=O)(=O)CC(c1ccccc1)C(CCC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.40
CPA3 P15088 1/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ADAMTS4 O75173 1/20 0.39
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
SRC P12931 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL7048106 0.87 NAPRT (0.35) CPA3MMP9MMP8MMP13ADAMTS4
SCHEMBL7048024 0.87 NAALAD2 (0.39) NAALAD2CPA3MMP9MMP8MMP13
SCHEMBL7049707 0.87 SRC (0.41) NAALAD2CPA3MMP9MMP8MMP13
SCHEMBL7050298 0.83 NAALAD2 (0.36) NAALAD2CPA3MMP9MMP8MMP13
SCHEMBL7050924 0.81 POLB (0.39) NAALAD2CPA3MMP9MMP8MMP13
SCHEMBL7047235 0.77 CPA3 (0.51) NAALAD2CPA3CYP1A2FOLH1
SCHEMBL7051893 0.77 ACE (0.40) NAALAD2CPA3CYP2C19ALDH1A1CYP2D6
SCHEMBL7052422 0.75 NAPRT (0.34) MMP9MMP8MMP13CYP2C19ALDH1A1
SCHEMBL7050154 0.74 CYP1A2 (0.37) CPA3MMP9MMP8MMP13ADAMTS4
SCHEMBL27503813 0.74 CYP2C19 (0.50) CYP2C19ALDH1A1CYP2D6SRCPOLB

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 4 patents. 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
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
US-6265609-B1 INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY; IN DRUGS TO TREAT GLUTAMATE ABNORMALITIES; COMPULSIVE DISORDERS AND PROSTATE DISEASES, TO EFFECT NEURONAL ACTIVITIES GUILFORD PHARMACEUTICALS INC. 2001-07-24 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 NAALAD2 1/4885CPA3 193/4885MMP9 55/4885

“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.