Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL811680 | 0.88 | POLB (0.41) | POLBCES2CES1HTT | |
| SCHEMBL28298959 | 0.85 | POLB (0.39) | POLBCES2CES1HTT | |
| SCHEMBL161645 | 0.85 | CES2 (0.42) | POLBCES2CES1HTT | |
| SCHEMBL9490363 | 0.84 | ESR1 (0.34) | ESR1 | |
| SCHEMBL9490372 | 0.84 | ESR1 (0.34) | ESR1 | |
| Bromide SCHEMBL29086958 | 0.82 | CES2 (0.40) | POLBCES2CES1HTT | |
| SCHEMBL1703382 | 0.82 | CES2 (0.40) | POLBCES2CES1HTT | |
| SCHEMBL12544632 | 0.82 | CES2 (0.40) | POLBCES2CES1HTT | |
| SCHEMBL9147301 | 0.79 | CES2 (0.42) | POLBCES2CES1HTT | |
| SCHEMBL3145740 | 0.78 | POLB (0.35) | POLBCES2CES1HTT |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210284626-A1 | ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2021-09-16 | — | — | US | disclosed |
| US-20210128753-A1 | ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2021-05-06 | — | — | US | disclosed |
| US-8124613-B2 | Spirotropane compounds | VIROCHEM PHARMA INC. (CA) | 2012-02-28 | — | — | US | disclosed |
| US-8076349-B2 | Such as (3S,4S)-3-[3-(4-Methanesulfonylbenzyl)-bicyclo[3.2.1]-2,4-dioxo-1 alpha ,3,8-triaza-spiro[4.5]dodec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester; inflammation; HIV | VIROCHEM PHARMA INC. (CA) | 2011-12-13 | — | — | US | disclosed |
| EP-1786815-B1 | SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY | VIROCHEM PHARMA INC (CA) | 2011-08-24 | — | — | EP | disclosed |
| US-7960403-B2 | Such as (3S,4S)-3-[3-(4-Methanesulfonylbenzyl)-bicyclo[3.2.1]-2,4-dioxo-1 alpha ,3,8-triaza-spiro[4.5]dodec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester; inflammation; HIV | VIROCHEM PHARMA INC. (CA) | 2011-06-14 | — | — | US | disclosed |
| US-20110105546-A1 | SPIROTROPANE COMPOUNDS | VIROCHEM PHARMA INC. (CA) | 2011-05-05 | — | — | US | disclosed |
| US-20110009420-A1 | Histamine H3 Receptor Ligands | HIGH POINT PHARMACEUTICALS, LLC (US) | 2011-01-13 | — | — | US | disclosed |
| US-20100286183-A1 | SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY | CHAN CHUN KONG LAVAL | 2010-11-11 | — | — | US | disclosed |
| US-7709642-B2 | Spirohydantoin compounds and methods for the modulation of chemokine receptor activity | VIROCHEM PHARMA, INC. (CA) | 2010-05-04 | — | — | US | disclosed |
| US-20050075360-A1 | Spirohydantoin compounds and methods for the modulation of chemokine receptor activity | VIRO CHEM PHARMA, INC. (CA) | 2005-04-07 | — | — | US | disclosed |
| US-20050075326-A1 | Spiro compounds and methods for the modulation of chemokine receptor activity | VIROCHEM PHARMA INC (CA) | 2005-04-07 | — | — | US | disclosed |
| US-20050070563-A1 | Spiro compounds and methods for the modulation of chemokine receptor activity | VIRO CHEM PHARMA, INC. (CA) | 2005-03-31 | — | — | US | disclosed |
| WO-2005023809-A1 | SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY | VIROCHEM PHARMA INC. (CA) | 2005-03-17 | — | — | WO | disclosed |
| WO-2005007656-A1 | SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY | VIROCHEM PHARMA INC. (CA) | 2005-01-27 | — | — | WO | disclosed |
| WO-2004071507-A1 | TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA S.P.A. (IT) | 2004-08-26 | — | — | WO | disclosed |
| US-6599918-B2 | Inhibit Factor Xa Factor IIa (thrombin) | AVENTIS PHARMACEUTICALS INC. | 2003-07-29 | — | — | US | disclosed |
| US-20020193410-A1 | Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans | AVENTIS PHARMACEUTICALS INC. | 2002-12-19 | — | — | US | disclosed |
| EP-1222182-A2 | SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS | Aventis Pharmaceuticals Inc. (US) | 2002-07-17 | — | — | EP | disclosed |
| WO-2001014358-A2 | SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS | AVENTIS PHARMACEUTICALS INC. (DE) | 2001-03-01 | — | — | 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 (9 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-20210128753-A1 | ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | DNPEP, CTSF, CTSE | ESR1 1726/4885POLB 2836/4885CES2 146/4885 |
| US-20050075326-A1 | Spiro compounds and methods for the modulation of chemokine receptor activity | CXCR1, CXCR4, CXCR2 | ESR1 887/4885POLB 3564/4885CES2 1423/4885 |
| US-20050075360-A1 | Spirohydantoin compounds and methods for the modulation of chemokine receptor activity | CXCR1, CXCR4, CXCR2 | ESR1 1907/4885POLB 4331/4885CES2 1241/4885 |
| US-20050070563-A1 | Spiro compounds and methods for the modulation of chemokine receptor activity | CXCR1, CCR5, CXCR2 | ESR1 657/4885POLB 3577/4885CES2 1317/4885 |
| US-20100286183-A1 | SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY | CXCR1, CXCR2, CXCR4 | ESR1 1934/4885POLB 4444/4885CES2 1173/4885 |
| US-20210284626-A1 | ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | DNPEP, CTSF, CTSE | ESR1 1726/4885POLB 2836/4885CES2 146/4885 |
| US-20110009420-A1 | Histamine H3 Receptor Ligands | HRH3, HRH4, HRH2 | ESR1 875/4885POLB 4351/4885CES2 2263/4885 |
| US-20110105546-A1 | SPIROTROPANE COMPOUNDS | CCR5, CXCR1, CXCR2 | ESR1 1421/4885POLB 3061/4885CES2 1711/4885 |
| US-20020193410-A1 | Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans | F2, TFPI, F3 | ESR1 3857/4885POLB 2087/4885CES2 3359/4885 |
“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.