SCHEMBL5519447

SCHEMBL5519447

O=C(O)c1cccc(-c2cccc(CO)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.63
ACMSD Q8TDX5 1/20 0.61
CNR2 P34972 1/20 0.56
NR4A2 P43354 1/20 0.56
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
BCL2 P10415 1/20 0.56
FOLH1 Q04609 1/20 0.55
PRKCI P41743 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
PGGT1B P53609 1/20 0.52
PTGER4 P35408 1/20 0.52
KDM5A P29375 1/20 0.52
KDM2B Q8NHM5 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
KDM5B Q9UGL1 1/20 0.52

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
SCHEMBL129182 0.88 FOLH1 (0.68) NR4A2FOLH1
SCHEMBL5154732 0.87 KMO (0.67) KMOACMSDNR4A2RXRARXRB
SCHEMBL4140814 0.87 BCL2 (0.73) KMOACMSDRXRARXRBBCL2
SCHEMBL29784246 0.87 BCL2 (0.73) KMOACMSDRXRARXRBBCL2
Water SCHEMBL7811295 0.86 FOLH1 (0.66) NR4A2FOLH1MRGPRX4
SCHEMBL30725957 0.84 KMO (0.86) KMORXRARXRB
SCHEMBL29904709 0.84 KMO (0.86) KMORXRARXRB
SCHEMBL71238 0.84 KMO (0.86) KMORXRARXRB
SCHEMBL5593093 0.84 PRKCI (0.53) KMOACMSDCNR2NR4A2BCL2
SCHEMBL12894987 0.84 BCL2 (0.78) KMONR4A2RXRARXRBBCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007519744-A 2007-07-19 JP claimed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP claimed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO claimed
US-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF THE UNIV OF MONTANA (US) 2021-05-13 US disclosed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
EP-0758243-B1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 2003-03-12 EP disclosed
EP-0758243-A4 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 1997-08-20 EP disclosed
CN-1151117-A Binding of E-selectin, P-selectin or L-selectin to sialyl-Lewis(x) or sialyl-lewis(a) TAXAS BIOTECHNOLOGY CORP (US) 1997-06-04 CN disclosed
EP-0758243-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-02-19 EP disclosed
WO-1995029682-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWIS?a¿ TEXAS BIOTECHNOLOGY CORPORATION (US) 1995-11-09 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 (2 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-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF TREH, STT3B, DDOST KMO 4115/4885ACMSD 931/4885CNR2 4469/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS KMO 1212/4885ACMSD 3301/4885CNR2 2960/4885

“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.