Sugi Predict

Sugi Predict / Compounds / SCHEMBL6183383

SCHEMBL6183383

SCHEMBL6183383

CCC(C)OC(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ BHMT Q93088 1/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ CACNA2D1 P54289 2/20 0.33
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ GABRA4 P48169 2/20 0.33
▸ GABRE P78334 2/20 0.33
▸ GABRA6 Q16445 2/20 0.33

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
SCHEMBL3081779 1.00 MAPT (0.40) MAPTBHMTSLC22A6SLC1A3SLC1A2
SCHEMBL28445647 0.88 BHMT (0.37) BHMTSLC22A6SLC1A3SLC1A2SLC1A1
SCHEMBL28445648 0.88 BHMT (0.37) BHMTSLC22A6SLC1A3SLC1A2SLC1A1
SCHEMBL23408664 0.85 SLC7A5 (0.47) BHMTSLC1A3SLC1A2SLC1A1CACNA2D1
SCHEMBL10363543 0.82 SLC7A5 (0.48) MAPTSLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL10363544 0.82 SLC7A5 (0.48) MAPTSLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL1074694 0.82 BHMT (0.38) BHMTSLC22A6SLC1A3SLC1A2SLC1A1
SCHEMBL1074693 0.82 BHMT (0.38) BHMTSLC22A6SLC1A3SLC1A2SLC1A1
SCHEMBL4379768 0.81 GABRP (0.48) MAPTSLC1A3SLC1A2SLC1A1GABRP
Hydrochloric Acid SCHEMBL7980115 0.80 BHMT (0.37) BHMTSLC1A3SLC1A2SLC1A1CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618825-A ENZYME INHIBITORS; ANTICOAGULANTS; VISION DISORDERS PHARMACOPEIA, INC. (US) 1997-04-08 — — US claimed
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BIOPORT R&D, INC. 2005-10-20 — — US disclosed
EP-1392317-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-10-19 — — EP disclosed
CN-1204889-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2005-06-08 — — CN disclosed
EP-1392317-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2004-03-03 — — EP disclosed
WO-2002100327-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2002-12-19 — — WO disclosed
US-6197750-B1 ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS IDUN PHARMACEUTICALS, INC. 2001-03-06 — — US disclosed
CN-1125575-A Adhesion receptor antagonists MERCK PATENT GMBH (DE) 1996-07-03 — — CN 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-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BAK1, BAD, BAX MAPT 2956/4885BHMT 345/4885SLC22A6 4436/4885

“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.