SCHEMBL4318330

SCHEMBL4318330

O=C(CBr)c1cc(C(=O)O)c(O)c(C(=O)CBr)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.45
GSK3B P49841 5/20 0.45
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
AKR1C1 Q04828 4/20 0.41
AKR1C4 P17516 3/20 0.41
HMGB1 P09429 2/20 0.38
CXCL12 P48061 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
TTR P02766 1/20 0.36

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
SCHEMBL9508765 0.84 HMGB1 (0.54) PTPN1GSK3BAKR1C3AKR1C2AKR1C1
SCHEMBL8582898 0.79 GSK3B (0.44) PTPN1GSK3BALDH1A1
SCHEMBL4317652 0.77 GSK3B (0.38) PTPN1GSK3BAKR1C3AKR1C2AKR1C1
SCHEMBL27968199 0.77 CA12 (0.56) AKR1C3AKR1C2AKR1C1AKR1C4HMGB1
SCHEMBL3947199 0.76 PTPN1 (0.52) PTPN1GSK3BALDH1A1HPGDHSD17B10
SCHEMBL9708883 0.74 ALDH1A1 (0.52) PTPN1GSK3BHMGB1ALDH1A1HPGD
SCHEMBL2728246 0.74 CA12 (0.59) AKR1C3AKR1C2AKR1C1AKR1C4HMGB1
SCHEMBL6543881 0.73 GSK3B (0.59) PTPN1GSK3B
SCHEMBL27968197 0.72 CA12 (0.56) AKR1C3AKR1C2AKR1C1AKR1C4HMGB1
SCHEMBL27968298 0.72 CA12 (0.56) AKR1C3AKR1C2AKR1C1AKR1C4HMGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734208-B2 ADJUSTMENT TRANSFORMING GROWTH FACTOR CONCENTRATION; ANTIINFLAMMATORY AGENTS NEORX CORPORATION 2004-05-11 US claimed
EP-0013783-B1 PROTECTION OF THE GASTRIC MUCOSAL LINING FROM DAMAGE BY ASPIRIN AND RELATED DRUGS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1984-04-04 EP claimed
US-7511070-B2 Compounds and therapies for the prevention of vascular and non-vascular pathologies PONIARD PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
US-7084171-B2 Compounds and therapies for the prevention of vascular and non-vascular pathologies NEORX CORPORATION (US) 2006-08-01 US disclosed
US-20060084696-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies PONIARD PHARMACEUTICALS, INC. 2006-04-20 US disclosed
EP-1038021-A4 COMPOUNDS AND METHODS FOR THE INHIBITION OF PROTEIN-PROTEIN INTERACTIONS WAY JEFFREY C (US) 2005-02-16 EP disclosed
US-20050020667-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies PONIARD PHARMACEUTICALS, INC. 2005-01-27 US disclosed
US-6734208-B2 ADJUSTMENT TRANSFORMING GROWTH FACTOR CONCENTRATION; ANTIINFLAMMATORY AGENTS NEORX CORPORATION 2004-05-11 US disclosed
US-20030064970-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies NEORX CORPORATION 2003-04-03 US disclosed
US-20030003513-A1 Compounds and methods for the inhibition of protein-protein interactions WAY JEFFREY C (US) 2003-01-02 US disclosed
US-6465192-B2 MODULATORS OF POLYPEPTIDE BINDING ACTIVITIES; FOR USE IN THE TREATMENT, PREVENTION OF INFECTIONS AND VIRAL DISEASE Way, Jeffrey C. 2002-10-15 US disclosed
US-6410587-B1 FIBROSIS; ALZHEIMER'S DISEASE; ANTIARTHRITIC AGENTS NEORX CORPORATION 2002-06-25 US disclosed
US-20020031780-A1 COMPOUNDS AND METHODS FOR THE INHIBITION OF PROTEIN-PROTEIN INTERACTIONS WAY, JEFFREY C. 2002-03-14 US disclosed
EP-1038021-A1 COMPOUNDS AND METHODS FOR THE INHIBITION OF PROTEIN-PROTEIN INTERACTIONS Way, Jeffrey C. (US) 2000-09-27 EP disclosed
US-6117911-A ADMINISTRATION OF AT LEAST ONE THERAPEUTIC AGENT THAT ELEVATES THE LEVEL OF TGF-BETA IN SAID MAMMAL. NEORX CORPORATION (US) 2000-09-12 US disclosed
WO-1999031265-A1 COMPOUNDS AND METHODS FOR THE INHIBITION OF PROTEIN-PROTEIN INTERACTIONS WAY JEFFREY C (US) 1999-06-24 WO disclosed
WO-1998046588-A2 COMPOUNDS AND THERAPIES FOR THE PREVENTION OF VASCULAR AND NON-VASCULAR PATHOLOGIES NEORX CORPORATION (US) 1998-10-22 WO disclosed
US-5013866-A Pharmaceutical grade 3,5-dibromosalicylic acid and metohd for synthesizing same BAXTER INTERNATIONAL INC. (US) 1991-05-07 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 (3 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-20060084696-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies TGFB1, TGFB2, TEK PTPN1 1380/4885GSK3B 121/4885AKR1C3 1710/4885
US-20050020667-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies TGFB1, TGFB2, TEK PTPN1 1380/4885GSK3B 121/4885AKR1C3 1710/4885
US-20030064970-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies TGFB1, TGFB2, TEK PTPN1 1380/4885GSK3B 121/4885AKR1C3 1710/4885

“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.