Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2839971 | 0.80 | CA12 (0.52) | CA12CA1CA2CA9GAA | |
| SCHEMBL10501690 | 0.80 | CA12 (0.47) | CA12CA1CA2CA9GAA | |
| SCHEMBL22751564 | 0.77 | ALDH1A1 (0.49) | CA12CA1CA2CA9GAA | |
| SCHEMBL17995127 | 0.76 | TSHR (0.43) | CA12GAAMGAMSIMGAM2 | |
| SCHEMBL65107 | 0.75 | CA12 (0.61) | CA12CA1CA2CA9GAA | |
| SCHEMBL450298 | 0.73 | — | — | |
| SCHEMBL12589581 | 0.73 | CA12 (0.59) | CA12CA1CA2CA9GAA | |
| SCHEMBL196815 | 0.73 | — | — | |
| SCHEMBL11265878 | 0.73 | CA12 (0.48) | CA12CA1CA2CA9GAA | |
| SCHEMBL7104102 | 0.73 | CA12 (0.53) | CA12CA1CA2CA9GAA |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1512397-B1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | INST MED MOLECULAR DESIGN INC (JP) | 2014-10-08 | — | — | EP | claimed |
| US-20100113770-A1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2010-05-06 | — | — | US | claimed |
| EP-3670496-A2 | ACC2 INHIBITORS | Shionogi&Co., Ltd. (JP) | 2020-06-24 | — | — | EP | disclosed |
| US-20190144396-A1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2019-05-16 | — | — | US | disclosed |
| US-10233156-B2 | 9-membered fused ring derivative | SHIONOGI & CO., LTD. (JP) | 2019-03-19 | — | — | US | disclosed |
| US-10150728-B2 | Alkylene derivatives | SHIONOGI & CO., LTD. (JP) | 2018-12-11 | — | — | US | disclosed |
| US-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2018-03-22 | — | — | US | disclosed |
| EP-3279187-A1 | 9-MEMBERED FUSED RING DERIVATIVE | Shionogi & Co., Ltd. (JP) | 2018-02-07 | — | — | EP | disclosed |
| US-20160257641-A1 | NOVEL ALKYLENE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2016-09-08 | — | — | US | disclosed |
| EP-3059225-A1 | NOVEL ALKYLENE DERIVATIVE | Shionogi & Co., Ltd. (JP) | 2016-08-24 | — | — | EP | disclosed |
| US-20150246938-A1 | NOVEL OLEFIN DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2015-09-03 | — | — | US | disclosed |
| EP-1512397-B1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | INST MED MOLECULAR DESIGN INC (JP) | 2014-10-08 | — | — | EP | disclosed |
| US-20100113770-A1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2010-05-06 | — | — | US | disclosed |
| US-7626042-B2 | O-substituted hydroxyaryl derivatives | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2009-12-01 | — | — | US | disclosed |
| US-20060094718-A1 | 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2006-05-04 | — | — | US | disclosed |
| EP-1512397-A1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | Institute of Medicinal Molecular Design, Inc. (JP) | 2005-03-09 | — | — | EP | 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 (8 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | ACSS2, AGTR2, ACSL3 | CA12 1186/4885CA1 1525/4885CA2 162/4885 |
| US-10150728-B2 | Alkylene derivatives | ACSS2, ACACB, CES2 | CA12 1224/4885CA1 1733/4885CA2 616/4885 |
| US-20060094718-A1 | 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction | IL1A, TNF, NFKBIA | CA12 3494/4885CA1 1944/4885CA2 985/4885 |
| US-20150246938-A1 | NOVEL OLEFIN DERIVATIVE | ACSS2, ACACB, ACAT2 | CA12 2942/4885CA1 3664/4885CA2 1225/4885 |
| US-20100113770-A1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | RELA, NFKBIA, NFE2 | CA12 3765/4885CA1 2365/4885CA2 1798/4885 |
| US-20190144396-A1 | 9-MEMBERED FUSED RING DERIVATIVE | ACSS2, AGTR2, ACSL3 | CA12 1186/4885CA1 1525/4885CA2 162/4885 |
| US-10233156-B2 | 9-membered fused ring derivative | AGTR2, ACSS2, ACSL3 | CA12 947/4885CA1 1320/4885CA2 108/4885 |
| US-20160257641-A1 | NOVEL ALKYLENE DERIVATIVES | ACSS2, ACACB, ADCY2 | CA12 1470/4885CA1 1919/4885CA2 771/4885 |
“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.