SCHEMBL6791728

SCHEMBL6791728

N[C@@H]1CN(C(=O)O)C[C@@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.48
GRM2 Q14416 1/20 0.32
CYP2C19 P33261 2/20 0.32
GRM4 Q14833 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL21682481 1.00 GABRR1 (0.48) GABRR1GRM2CYP2C19GRM4MEN1
SCHEMBL26615125 1.00 GABRR1 (0.48) GABRR1GRM2CYP2C19GRM4MEN1
Hydrochloric Acid SCHEMBL12505253 0.98 GABRR1 (0.46) GABRR1GRM2CYP2C19GRM4MEN1
Hydrochloric Acid SCHEMBL12505254 0.98 GABRR1 (0.46) GABRR1GRM2CYP2C19GRM4MEN1
Hydrochloric Acid SCHEMBL12505252 0.98 GABRR1 (0.46) GABRR1GRM2CYP2C19GRM4MEN1
SCHEMBL3620776 0.83 GABRR1 (0.39) GABRR1GRM2GRM6
SCHEMBL19816446 0.83 GABRR1 (0.39) GABRR1GRM2GRM6
SCHEMBL4627762 0.83 GABRR1 (0.39) GABRR1GRM2GRM6
SCHEMBL3832575 0.83 GABRR1 (0.39) GABRR1GRM2GRM6
SCHEMBL3620778 0.83 GABRR1 (0.39) GABRR1GRM2GRM6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 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-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 GABRR1 2395/4885GRM2 1215/4885CYP2C19 2886/4885

“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.