SCHEMBL7051632

SCHEMBL7051632

CC(c1ccccc1)C(S)OC(CCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
FFAR1 O14842 1/20 0.40
CPA3 P15088 1/20 0.40
FOLH1 Q04609 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7049052 0.87 FOLH1 (0.35) FFAR1FOLH1CYP1A2
SCHEMBL7047111 0.84 NAALAD2 (0.39) MMENAALAD2FFAR1CPA3FOLH1
SCHEMBL28028444 0.81 FFAR1 (0.50) NAALAD2FFAR1CPA3FOLH1CYP1A2
SCHEMBL7049937 0.79 MME (0.44) MMENAALAD2CPA3CYP1A2
SCHEMBL7054224 0.75 CPA3 (0.55) NAALAD2CPA3FOLH1CYP1A2
SCHEMBL7049053 0.75 CPA3 (0.41) NAALAD2CPA3FOLH1CYP1A2
SCHEMBL7052276 0.73 FOLH1 (0.50) FOLH1CYP1A2
SCHEMBL7047144 0.72 LMNA (0.34) FOLH1CYP1A2
SCHEMBL5051274 0.71 FOLH1 (0.44) NAALAD2FFAR1CPA3FOLH1CYP1A2
SCHEMBL28969462 0.71 CYP1A2 (0.54) NAALAD2FOLH1CYP1A2

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 MME 171/4885NAALAD2 1/4885FFAR1 3784/4885

“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.