SCHEMBL5320165

SCHEMBL5320165

NC(CCc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
GRIK1 P39086 1/20 0.55
GRIA1 P42261 1/20 0.55
GRIA2 P42262 1/20 0.55
GRIA3 P42263 1/20 0.55
GRIA4 P48058 1/20 0.55
GRIK2 Q13002 1/20 0.55
GRIK3 Q13003 1/20 0.55
SLC7A11 Q9UPY5 1/20 0.54
SLC1A3 P43003 2/20 0.54
SLC1A2 P43004 2/20 0.54
SLC1A1 P43005 2/20 0.54
SOX18 P35713 1/20 0.50
PTPN1 P18031 1/20 0.48
KIF11 P52732 1/20 0.48
SLC13A5 Q86YT5 1/20 0.48
PDPK1 O15530 1/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL5325659 0.91 CYP1A2 (0.60) CYP1A2GRIK1GRIA1GRIA2GRIA3
SCHEMBL5324794 0.89 CYP1A2 (0.59) CYP1A2GRIK1SLC7A11SLC1A3SLC1A2
SCHEMBL17194110 0.86 GRIA2 (0.54) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL16704739 0.86 GRIA2 (0.54) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL20306138 0.86 CYP1A2 (0.50) CYP1A2SLC7A11SLC1A3SLC1A2SLC1A1
SCHEMBL93304 0.83 SLC7A5 (0.65) GRIA2SLC7A11SLC1A3SLC1A2SLC1A1
SCHEMBL837890 0.83 SLC7A5 (0.65) GRIA2SLC7A11SLC1A3SLC1A2SLC1A1
SCHEMBL93303 0.83 SLC7A5 (0.65) GRIA2SLC7A11SLC1A3SLC1A2SLC1A1
SCHEMBL29584308 0.83 SLC7A5 (0.65) GRIA2SLC7A11SLC1A3SLC1A2SLC1A1
SCHEMBL29401985 0.83 SLC7A5 (0.65) GRIA2SLC7A11SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148312-A1 COMPOSITIONS, SYSTEMS, AND METHODS FOR AMINO ACID SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-11 WO claimed
WO-2024148312-A1 COMPOSITIONS, SYSTEMS, AND METHODS FOR AMINO ACID SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-11 WO disclosed
CN-105860595-B A kind of graphene of hyperbranched poly triazole functionalization and preparation method thereof 华中科技大学 2017-11-14 CN disclosed
CN-105860595-A Hyperbranched-polytriazole-functionalized graphene and preparation method thereof 华中科技大学 2016-08-17 CN 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
EP-0822827-B1 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2003-03-05 EP disclosed
EP-0822827-A4 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2001-07-11 EP disclosed
EP-1034164-A4 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2001-07-11 EP disclosed
EP-1034164-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2000-09-13 EP disclosed
WO-1999026921-A1 SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 WO disclosed
EP-0822827-A1 ANTAGONISTS OF LHRH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-02-11 EP disclosed
WO-1996033729-A1 ANTAGONISTS OF LHRH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-10-31 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 CYP1A2 4851/4885GRIK1 4162/4885GRIA1 3993/4885

“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.