SCHEMBL3679285

SCHEMBL3679285

CC(=O)Oc1cc(O)cc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
HCAR1 Q9BXC0 3/20 0.52
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 1/20 0.50
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
CA5A P35218 2/20 0.43
ELANE P08246 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
BACE1 P56817 1/20 0.42
CA3 P07451 1/20 0.41

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
SCHEMBL417129 0.88 HSD17B10 (0.57) CYP3A4HSD17B10GAALMNAKDM4E
SCHEMBL1543332 0.88 HSD17B10 (0.57) CA12CA1CA2CA7CA9
SCHEMBL320560 0.83 CYP3A4 (0.63) CA12CA1CA2CA7CA9
SCHEMBL14351002 0.83 CYP3A4 (0.63) CYP3A4HSD17B10LMNAKDM4ECA5A
SCHEMBL13725392 0.81 RXRA (0.53) CA12CA1CA2CA7CA9
SCHEMBL30031930 0.81 TPMT (0.59) HCAR1CYP3A4HSD17B10GAALMNA
SCHEMBL10148962 0.81 TPMT (0.59) HCAR1CYP3A4HSD17B10GAALMNA
SCHEMBL11703054 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL618766 0.81 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL30597472 0.80 CA1 (0.60) CA12CA1CA2CA7CA9

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753708-B1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME UNIV BRIGHAM YOUNG (US) 2018-02-21 EP disclosed
EP-3036234-A1 DERIVATIVES OF 1 H-PYRAZOLO[3,4-B]PYRIDINE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Galapagos NV (BE) 2016-06-29 EP disclosed
US-9062051-B2 Compounds and pharmaceutical compositions thereof for the treatment of proliferative disorders GALAPAGOS NV (BE) 2015-06-23 US disclosed
US-9062051-B2 Compounds and pharmaceutical compositions thereof for the treatment of proliferative disorders GALAPAGOS NV (BE) 2015-06-23 US disclosed
US-9062051-B2 Compounds and pharmaceutical compositions thereof for the treatment of proliferative disorders GALAPAGOS NV (BE) 2015-06-23 US disclosed
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-03-19 US disclosed
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-03-19 US disclosed
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-03-19 US disclosed
WO-2015024905-A1 DERIVATIVES OF 1 H-PYRAZOLO[3,4-B]PYRIDINE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-02-26 WO disclosed
WO-2015024905-A1 DERIVATIVES OF 1 H-PYRAZOLO[3,4-B]PYRIDINE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-02-26 WO disclosed
US-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY (US) 2010-07-22 US disclosed
US-7714161-B2 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY (US) 2010-05-11 US disclosed
US-7714161-B2 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY (US) 2010-05-11 US disclosed
US-7714161-B2 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY (US) 2010-05-11 US disclosed
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY 2008-10-16 US disclosed
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY 2008-10-16 US disclosed
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY 2008-10-16 US disclosed
EP-1753708-A4 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME UNIV BRIGHAM YOUNG (US) 2007-12-26 EP disclosed
EP-1753708-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME Brigham Young University (US) 2007-02-21 EP disclosed
WO-2005069998-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY TECHNOLOGY TRANSFER OFFICE (US) 2005-08-04 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-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME SIRT1, SIRT2, SIRT3 CA12 4839/4885CA1 4881/4885CA2 4289/4885
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS FGF2, CCNA2, VEGFA CA12 579/4885CA1 1305/4885CA2 519/4885
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries RB1, SBK1, NADK CA12 4482/4885CA1 4858/4885CA2 3093/4885

“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.