SCHEMBL7051929

SCHEMBL7051929

CCCS(=O)(=O)CCC(CCC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 14/20 0.48
CHRM1 P11229 1/20 0.47
AKR1A1 P14550 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GCLC P48506 1/20 0.44
APEX1 P27695 1/20 0.43
GRM3 Q14832 2/20 0.42

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
SCHEMBL7054608 0.90 FOLH1 (0.47) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7054600 0.89 FOLH1 (0.52) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1374895 0.86 GCLC (0.51) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7050393 0.79 FOLH1 (0.53) FOLH1GRM3
SCHEMBL2230782 0.78 CHRM1 (0.76) FOLH1CHRM1AKR1A1CHRM3HTR2A
Succinic Acid SCHEMBL9562226 0.78 APEX1 (0.62) HDAC1HDAC2TDP1APEX1
SCHEMBL27682564 0.78 CHRM1 (0.61) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7049099 0.77 FOLH1 (0.55) FOLH1GRM3
Bromide SCHEMBL7659007 0.77 CHRM1 (0.73) FOLH1CHRM1AKR1A1CHRM3HTR2A
Water SCHEMBL27701491 0.77 CHRM1 (0.73) FOLH1CHRM1AKR1A1CHRM3HTR2A

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 FOLH1 56/4885CHRM1 4780/4885AKR1A1 1858/4885

“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.