SCHEMBL5053182

SCHEMBL5053182

O=C(O)C(CCS)C1CC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
LMNA P02545 1/20 0.47
APEX1 P27695 1/20 0.47
GRM5 P41594 1/20 0.47
PMP22 Q01453 1/20 0.47
GRM1 Q13255 1/20 0.47
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
GRM4 Q14833 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC1A1 P43005 2/20 0.37
FOLH1 Q04609 1/20 0.34
CPN1 P15169 4/20 0.34
CPB2 Q96IY4 4/20 0.34

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
SCHEMBL5052996 0.89 SLC1A2 (0.44) SLC1A2CYP2C9CYP2C19GRM8GRM6
SCHEMBL7399439 0.79 SLC1A2 (0.46) SLC1A2CYP2C9CYP2C19GRM8GRM6
SCHEMBL7364671 0.78 SLC1A2 (0.44) SLC1A2CYP2C9CYP2C19GRM8GRM6
SCHEMBL7360984 0.77 GPR84 (0.43) SLC1A2CYP2C9CYP2C19GRM8GRM6
SCHEMBL7392222 0.77 SLC1A2 (0.43) SLC1A2CYP2C9CYP2C19GRM8GRM6
SCHEMBL7357839 0.76 SLC1A2 (0.50) SLC1A2CYP2C9CYP2C19GRM8GRM6
SCHEMBL5051242 0.75 FOLH1 (0.44) SLC1A2CYP2C9CYP2C19GRM8GRM6
SCHEMBL7364577 0.74 GRM2 (0.41) SLC1A2CYP2C9CYP2C19GRM8GRM6
SCHEMBL7364834 0.73 SLC1A2 (0.40) SLC1A2CYP2C9CYP2C19GRM8GRM6
SCHEMBL7361069 0.73 CYP1A2 (0.45) SLC1A2CYP2C9CYP2C19GRM8GRM6

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-6313159-B1 FOR THERAPY OF GLUTAMATE MEDIATED DISEASE, DISORDER SUCH AS: STROKE, ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE, SCHIZOPHRENIA, ISCHEMIA, PAIN, DIABETIC NEUROPATHY, TRAUMA, NERVOUS INSULT GUILFORD PHARMACEUTICALS INC. 2001-11-06 US claimed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
US-6313159-B1 FOR THERAPY OF GLUTAMATE MEDIATED DISEASE, DISORDER SUCH AS: STROKE, ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE, SCHIZOPHRENIA, ISCHEMIA, PAIN, DIABETIC NEUROPATHY, TRAUMA, NERVOUS INSULT GUILFORD PHARMACEUTICALS INC. 2001-11-06 US disclosed
WO-2001014390-A2 METABOTROPIC GLUTAMATE RECEPTOR LIGAND DERIVATIVES AS NAALADase INHIBITORS GUILFORD PHARMACEUTICALS (US) 2001-03-01 WO 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-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL SLC1A2 1629/4885CYP2C9 3344/4885CYP2C19 3983/4885

“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.