SCHEMBL4051230

SCHEMBL4051230

O=C1C(=O)c2ccsc2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 1.00
CES1 P23141 2/20 0.56
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
TERT O14746 2/20 0.52
HTT P42858 2/20 0.52
APAF1 O14727 2/20 0.52
TDP2 O95551 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CES2 O00748 1/20 0.52
PLIN1 O60240 1/20 0.52
S1PR4 O95977 1/20 0.52
LMNA P02545 1/20 0.52
PLA2G1B P04054 1/20 0.52
BCHE P06276 1/20 0.52
POLB P06746 1/20 0.52
THRB P10828 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
SCHEMBL31141849 0.95 PTPRC (0.91) PTPRCCES1KMT2AMEN1NPC1
SCHEMBL9673985 0.95 PTPRC (0.91) PTPRCCES1KMT2AMEN1NPC1
Thiophenonaphthoquinone SCHEMBL29285 0.86 PTPRC (0.76) PTPRCCES1KMT2AMEN1NPC1
SCHEMBL727865 0.83 CES1 (0.70) PTPRCCES1KMT2AMEN1NPC1
SCHEMBL7318972 0.82 CES1 (0.70) PTPRCCES1KMT2AMEN1NPC1
SCHEMBL201792 0.80 PTPRC (0.67) PTPRCCES1KMT2AMEN1NPC1
SCHEMBL9674046 0.78 CES1 (0.71) PTPRCCES1DNMT1PABPC1
SCHEMBL2111492 0.78 CES1 (0.70) PTPRCCES1KMT2AMEN1DNMT1
SCHEMBL206335 0.78 CES1 (0.79) PTPRCCES1DNMT1PABPC1
SCHEMBL6995084 0.75 CES1 (0.75) PTPRCCES1KMT2AMEN1DNMT1

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
EP-1242086-B1 CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-10-05 EP claimed
US-20030130298-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-07-10 US claimed
EP-1242086-A2 CD45 INHIBITORS AstraZeneca AB (SE) 2002-09-25 EP claimed
WO-2001045680-A2 CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 WO claimed
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
EP-2024371-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-02-18 EP disclosed
WO-2007134434-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-11-29 WO disclosed
EP-1242086-B1 CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-10-05 EP disclosed
US-20030130298-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-07-10 US disclosed
EP-1242086-A2 CD45 INHIBITORS AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001045680-A2 CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 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-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 PTPRC 2968/4885CES1 213/4885KMT2A 2400/4885

“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.