SCHEMBL4751583

SCHEMBL4751583

O=C1OC(=O)C(c2ccc3c(c2)OCO3)=C1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 1.00
PTPRC P08575 1/20 0.53
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
PKM P14618 1/20 0.50
ALOX5 P09917 1/20 0.50
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
EDNRB P24530 2/20 0.48
EDNRA P25101 2/20 0.48
TNKS O95271 2/20 0.48
PARP1 P09874 1/20 0.48
TNKS2 Q9H2K2 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
SCHEMBL6316764 0.93 PTGS2 (0.87) PTGS2PTPRCNPC1RAB9AMEN1
SCHEMBL8700474 0.87 PTGS2 (0.77) PTGS2PTPRCNPC1RAB9AMEN1
SCHEMBL4789136 0.84 PTGS2 (0.72) PTGS2PTPRCNPC1RAB9AMEN1
SCHEMBL30009937 0.80 PTGS2 (0.66) PTGS2PTPRCNPC1RAB9AMEN1
SCHEMBL404584 0.80 PTGS2 (0.66) PTGS2PTPRCNPC1RAB9AMEN1
SCHEMBL10736364 0.78 PTGS2 (0.69) PTGS2MEN1KMT2AADORA3KDM4E
SCHEMBL592300 0.75 PTGS2 (0.65) PTGS2MEN1KMT2AADORA3KDM4E
SCHEMBL29629010 0.74 PTGS2 (0.58) PTGS2PTPRCNPC1RAB9AMEN1
SCHEMBL2692579 0.74 CA12 (0.59) PTGS2PTPRCNPC1RAB9AMEN1
SCHEMBL25440225 0.72 RAB9A (0.65) PTGS2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US claimed
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 EP claimed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 WO claimed
WO-2008140251-A2 CYCLOOXYGENASE-2 INHIBITORS UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2008-11-20 WO disclosed
WO-2008140251-A2 CYCLOOXYGENASE-2 INHIBITORS UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2008-11-20 WO disclosed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US 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-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases EDNRA, EDNRB, ECE1 PTGS2 247/4885PTPRC 1514/4885NPC1 2658/4885

“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.