SCHEMBL5320092

SCHEMBL5320092

Cc1cccc(C(C)CC(N)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.50
KIF11 P52732 3/20 0.48
GRM2 Q14416 2/20 0.47
GRM3 Q14832 2/20 0.47
ACP3 P15309 1/20 0.43
SLC7A5 Q01650 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39

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
SCHEMBL5321979 0.86 KIF11 (0.53) KYNUKIF11ACP3
SCHEMBL27644152 0.85 KYNU (0.48) KYNUKIF11GRM2GRM3ACP3
SCHEMBL6255681 0.83 GRM2 (0.61) KYNUGRM2GRM3SLC7A5SLC1A3
SCHEMBL5325189 0.83 GRM2 (0.61) KYNUGRM2GRM3SLC7A5SLC1A3
SCHEMBL5924700 0.83 GRM2 (0.61) KYNUGRM2GRM3SLC7A5SLC1A3
SCHEMBL18886173 0.83 GRM2 (0.61) KYNUGRM2GRM3SLC7A5SLC1A3
SCHEMBL5924823 0.83 GRM2 (0.61) KYNUGRM2GRM3SLC7A5SLC1A3
SCHEMBL5319551 0.83 KYNU (0.49) KYNUKIF11GRM2GRM3ACP3
SCHEMBL4988045 0.82 ACP3 (0.41) KIF11GRM2GRM3ACP3AKR1C3
Hydrochloric Acid SCHEMBL10792123 0.82 GRM2 (0.59) KYNUGRM2GRM3SLC7A5SLC1A3

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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 KYNU 1045/4885KIF11 1678/4885GRM2 4412/4885

“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.