SCHEMBL4317652

SCHEMBL4317652

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
PTPN1 P18031 6/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HMGB1 P09429 2/20 0.38
CXCL12 P48061 2/20 0.38
AKR1C4 P17516 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
ATIC P31939 1/20 0.35
PTPN2 P17706 3/20 0.35
PTPN6 P29350 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL10874713 0.83 GSK3B (0.37) GSK3B
SCHEMBL4318330 0.77 PTPN1 (0.45) GSK3BPTPN1HPGDHSD17B10ALDH1A1
SCHEMBL27968199 0.77 CA12 (0.56) HPGDHSD17B10ALDH1A1HMGB1CXCL12
SCHEMBL11447833 0.76 CA1 (0.52) GSK3BPTPN1HPGDHSD17B10ALDH1A1
SCHEMBL2728246 0.74 CA12 (0.59) HPGDHSD17B10ALDH1A1HMGB1CXCL12
SCHEMBL14791736 0.73 GSK3B (0.54) GSK3BHPGDHSD17B10ALDH1A1CYP2C9
SCHEMBL27968419 0.72 CA12 (0.56) HPGDHSD17B10ALDH1A1HMGB1CXCL12
SCHEMBL27968298 0.72 CA12 (0.56) HPGDHSD17B10ALDH1A1HMGB1CXCL12
SCHEMBL27968197 0.72 CA12 (0.56) HPGDHSD17B10ALDH1A1HMGB1CXCL12
SCHEMBL11455991 0.72 ALDH1A1 (0.52) GSK3BPTPN1HPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752201-B1 SUSPENSION OF NANOSCALE, ORGANIC PARTICLES AND PROCESS FOR PRODUCTION THEREOF UNIV FRIEDRICH ALEXANDER ER (DE) 2023-11-22 EP claimed
EP-3752201-A1 SUSPENSION OF NANOSCALE, ORGANIC PARTICLES AND PROCESS FOR PRODUCTION THEREOF Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-12-23 EP claimed
WO-2019158509-A1 SUSPENSION OF NANOSCALE, ORGANIC PARTICLES AND PROCESS FOR PRODUCTION THEREOF Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-08-22 WO claimed
US-6734208-B2 ADJUSTMENT TRANSFORMING GROWTH FACTOR CONCENTRATION; ANTIINFLAMMATORY AGENTS NEORX CORPORATION 2004-05-11 US claimed
EP-3752201-B1 SUSPENSION OF NANOSCALE, ORGANIC PARTICLES AND PROCESS FOR PRODUCTION THEREOF UNIV FRIEDRICH ALEXANDER ER (DE) 2023-11-22 EP disclosed
EP-3752201-A1 SUSPENSION OF NANOSCALE, ORGANIC PARTICLES AND PROCESS FOR PRODUCTION THEREOF Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-12-23 EP disclosed
WO-2019158509-A1 SUSPENSION OF NANOSCALE, ORGANIC PARTICLES AND PROCESS FOR PRODUCTION THEREOF Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-08-22 WO disclosed
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
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-6410587-B1 FIBROSIS; ALZHEIMER'S DISEASE; ANTIARTHRITIC AGENTS NEORX CORPORATION 2002-06-25 US 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-1998046588-A2 COMPOUNDS AND THERAPIES FOR THE PREVENTION OF VASCULAR AND NON-VASCULAR PATHOLOGIES NEORX CORPORATION (US) 1998-10-22 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 (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 GSK3B 121/4885PTPN1 1380/4885HPGD 546/4885
US-20050020667-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies TGFB1, TGFB2, TEK GSK3B 121/4885PTPN1 1380/4885HPGD 546/4885
US-20030064970-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies TGFB1, TGFB2, TEK GSK3B 121/4885PTPN1 1380/4885HPGD 546/4885

“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.