SCHEMBL7761787

SCHEMBL7761787

C[C@@H](O)[C@H](NC(=O)c1ccccc1OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 6/20 0.58
▸ NPC1 O15118 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ FAAH O00519 1/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ CNR2 P34972 1/20 0.52
▸ CTSK P43235 1/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ ICMT O60725 1/20 0.48
▸ KIFC1 Q9BW19 1/20 0.48

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
SCHEMBL15941034 1.00 SGMS2 (0.58) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL15941211 1.00 SGMS2 (0.58) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL7956086 0.90 SGMS2 (0.55) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL15947711 0.90 SGMS2 (0.55) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL7723403 0.90 SGMS2 (0.55) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL7723401 0.90 SGMS2 (0.55) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL7956090 0.90 SGMS2 (0.55) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL15941245 0.90 SGMS2 (0.55) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL17389356 0.87 SGMS2 (0.55) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL15947736 0.87 SGMS2 (0.55) SGMS2NPC1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1315962-A Novel method for synthesizing Exochelins KEYSTONE BIOMEDICAL INC (US) 2001-10-03 — — CN claimed
EP-1105416-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 — — EP claimed
US-6063919-A ESTERIFICATION OF O-DEPROTECTED DIBENZYL EXOCHELIC ACID WITH BENZYL EPI-COBACTIN, HYDROGENOLYTICALLY REMOVING THE THREE BENZYL GROUPS TO FORM EXOCHELIN 786SM(R) KEYSTONE BIOMEDICAL, INC. (US) 2000-05-16 — — US claimed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 — — WO claimed
US-20160002269-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-01-07 — — US disclosed
EP-2953899-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF Yeda Research and Development Co., Ltd. (IL) 2015-12-16 — — EP disclosed
WO-2014122664-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-08-14 — — WO disclosed
WO-2014122664-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-08-14 — — WO disclosed
EP-1105416-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 — — EP disclosed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 — — 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-20160002269-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF VAC14, LPXN, SLC39A7 SGMS2 3429/4885NPC1 3667/4885GAA 1217/4885

“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.

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