SCHEMBL5324039

SCHEMBL5324039

NC(CCc1cccc2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
MTNR1A P48039 2/20 0.53
CTNNB1 P35222 1/20 0.49
METAP2 P50579 1/20 0.48
KIF11 P52732 2/20 0.47
COPS5 Q92905 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.46
ADA P00813 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
MCL1 Q07820 2/20 0.46

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
SCHEMBL5322260 0.91 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1TDP1MTNR1A
SCHEMBL5325351 0.89 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1TDP1MTNR1A
SCHEMBL22394072 0.86 MTNR1A (0.51) SLC1A3SLC1A2SLC1A1TDP1MTNR1A
SCHEMBL27254773 0.83 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1TDP1MTNR1A
SCHEMBL660499 0.83 CTNNB1 (0.59) SLC1A3SLC1A2SLC1A1TDP1CTNNB1
SCHEMBL93516 0.83 CTNNB1 (0.59) SLC1A3SLC1A2SLC1A1TDP1CTNNB1
SCHEMBL29397858 0.83 CTNNB1 (0.59) SLC1A3SLC1A2SLC1A1TDP1CTNNB1
SCHEMBL29397866 0.83 CTNNB1 (0.59) SLC1A3SLC1A2SLC1A1TDP1CTNNB1
SCHEMBL29482763 0.83 CTNNB1 (0.59) SLC1A3SLC1A2SLC1A1TDP1CTNNB1
SCHEMBL8890206 0.83 TDP1 (0.56) SLC1A3SLC1A2SLC1A1TDP1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020023502-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2020-01-30 WO disclosed
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 SLC1A3 4472/4885SLC1A2 4787/4885SLC1A1 4654/4885

“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.