Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 10/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 9/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26987050 | 0.76 | TDO2 (0.43) | TDO2ESR1ESR2TSHRCYP2C19 | |
| SCHEMBL12286066 | 0.76 | TDO2 (0.43) | TDO2ESR1ESR2TSHRCYP2C19 | |
| SCHEMBL19493560 | 0.74 | TDO2 (0.42) | TDO2ESR1ESR2TSHRCYP2C19 | |
| SCHEMBL1165302 | 0.74 | ESR1 (0.44) | TDO2ESR1ESR2LMNATHRB | |
| SCHEMBL15583123 | 0.74 | TDO2 (0.42) | TDO2ESR1ESR2TSHRCYP2C19 | |
| SCHEMBL28406609 | 0.74 | ESR1 (0.41) | TDO2ESR1ESR2LMNACDK9 | |
| SCHEMBL1163699 | 0.73 | ESR1 (0.42) | TDO2ESR1ESR2LMNATHRB | |
| SCHEMBL24659443 | 0.72 | TDO2 (0.40) | TDO2ESR1ESR2LMNACDK9 | |
| SCHEMBL10201225 | 0.72 | TDO2 (0.40) | TDO2ESR1ESR2LMNATHRB | |
| SCHEMBL12749666 | 0.72 | TDO2 (0.40) | TDO2ESR1ESR2TSHRLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140179924-A1 | Process for the preparation of cathepsin S inhibitors | JANSSEN PHARMACEUTICA NV (US) | 2014-06-26 | — | — | US | disclosed |
| EP-2464646-B1 | PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-05-07 | — | — | EP | disclosed |
| EP-2464646-A1 | PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2012-06-20 | — | — | EP | disclosed |
| US-20120142928-A1 | PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2012-06-07 | — | — | US | disclosed |
| WO-2011019842-A1 | PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-02-17 | — | — | 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-20140179924-A1 | Process for the preparation of cathepsin S inhibitors | CTSS, CTSB, CTSF | TDO2 4290/4885ESR1 2875/4885ESR2 3534/4885 |
| US-20120142928-A1 | PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS | CTSS, CTSB, CTSF | TDO2 4290/4885ESR1 2875/4885ESR2 3534/4885 |
“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.