Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3538900 | 1.00 | NFE2L2 (0.43) | NFE2L2PTGS1PTGS2GRIN2DGRIN3B | |
| SCHEMBL6394589 | 0.85 | NFE2L2 (0.43) | NFE2L2ALDH1A1TSHRPOLBMAPT | |
| SCHEMBL6394593 | 0.85 | NFE2L2 (0.43) | NFE2L2ALDH1A1TSHRPOLBMAPT | |
| SCHEMBL4296097 | 0.78 | NFE2L2 (0.43) | NFE2L2PTGS1PTGS2GRIN2DGRIN3B | |
| SCHEMBL4296092 | 0.78 | NFE2L2 (0.43) | NFE2L2PTGS1PTGS2GRIN2DGRIN3B | |
| SCHEMBL5203307 | 0.77 | ALDH1A1 (0.53) | NFE2L2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL28178629 | 0.77 | ALDH1A1 (0.53) | NFE2L2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1920614 | 0.76 | AKR1C3 (0.44) | NFE2L2PTGS1PTGS2GRIN2DGRIN3B | |
| SCHEMBL1920181 | 0.76 | AKR1C3 (0.44) | NFE2L2PTGS1PTGS2GRIN2DGRIN3B | |
| SCHEMBL1920180 | 0.76 | AKR1C3 (0.44) | NFE2L2PTGS1PTGS2GRIN2DGRIN3B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100144720-A1 | INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 | CHEMOCENTRYX, INC. (US) | 2010-06-10 | — | — | US | disclosed |
| US-7649011-B2 | Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction | CHEMOCENTRYX, INC. (US) | 2010-01-19 | — | — | US | disclosed |
| EP-1606251-B1 | INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR | CHEMOCENTRYX INC (US) | 2009-04-08 | — | — | EP | disclosed |
| EP-1606251-A2 | INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR | ChemoCentryx Inc (US) | 2005-12-21 | — | — | EP | disclosed |
| US-20040171655-A1 | Inhibitors of human tumor-expressed CCXCKR2 | CHEMOCENTRYX, INC. | 2004-09-02 | — | — | US | disclosed |
| WO-2004058705-A2 | INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR | CHEMOCENTRYX (US) | 2004-07-15 | — | — | 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 (2 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-20100144720-A1 | INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 | CCL2, CCR2, CXCR2 | NFE2L2 2596/4885PTGS1 743/4885PTGS2 700/4885 |
| US-20040171655-A1 | Inhibitors of human tumor-expressed CCXCKR2 | CCL2, CCR2, CXCR2 | NFE2L2 2596/4885PTGS1 743/4885PTGS2 700/4885 |
“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.