SCHEMBL7054623

SCHEMBL7054623

CC(S)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.64
SLC1A3 P43003 1/20 0.59
SLC1A2 P43004 1/20 0.59
SLC1A1 P43005 1/20 0.59
CPB2 Q96IY4 1/20 0.58
CYP1A2 P05177 1/20 0.53
CPA3 P15088 1/20 0.52
FOLH1 Q04609 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
MME P08473 2/20 0.49

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
SCHEMBL17799260 1.00 ACE (0.64) ACESLC1A3SLC1A2SLC1A1CPB2
SCHEMBL883357 0.84 SLC1A3 (0.63) ACESLC1A3SLC1A2SLC1A1CPB2
SCHEMBL5511480 0.84 SLC1A3 (0.63) ACESLC1A3SLC1A2SLC1A1CPB2
SCHEMBL7052531 0.84 CPB2 (0.57) ACESLC1A3SLC1A2SLC1A1CPB2
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL305323 0.83 SLC1A3 (0.73) ACESLC1A3SLC1A2SLC1A1CPB2
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL7289849 0.83 SLC1A3 (0.73) ACESLC1A3SLC1A2SLC1A1CPB2
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL2919214 0.83 SLC1A3 (0.73) ACESLC1A3SLC1A2SLC1A1CPB2
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL4755513 0.83 SLC1A3 (0.73) ACESLC1A3SLC1A2SLC1A1CPB2
SCHEMBL24252143 0.82 SLC1A3 (0.61) ACESLC1A3SLC1A2SLC1A1CPB2
SCHEMBL5708390 0.82 SLC1A3 (0.61) ACESLC1A3SLC1A2SLC1A1CPB2

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-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US claimed
US-20200087648-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS NYSNOBIO IRELAND DAC (IE) 2020-03-19 US disclosed
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 (2 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-20200087648-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS PINK1, XIAP, STUB1 ACE 3033/4885SLC1A3 3852/4885SLC1A2 3958/4885
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors NAALAD2, DNPEP, DPP9 ACE 100/4885SLC1A3 2231/4885SLC1A2 2382/4885

“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.