Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.34 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL474448 | 0.93 | GPR55 (0.36) | CTSCGPR55SLC5A1SLC5A2PDE3B | |
| SCHEMBL12163844 | 0.88 | ALDH1A1 (0.38) | CTSCGPR55SLC5A1SLC5A2PDE3B | |
| SCHEMBL473844 | 0.88 | ALDH1A1 (0.38) | CTSCGPR55SLC5A1SLC5A2PDE3B | |
| SCHEMBL12163823 | 0.87 | KMO (0.38) | CTSCGPR55SLC5A1SLC5A2PDE3B | |
| SCHEMBL474486 | 0.87 | KMO (0.38) | CTSCGPR55SLC5A1SLC5A2PDE3B | |
| SCHEMBL12163803 | 0.86 | GPR55 (0.39) | CTSCGPR55PDE3BPDE3AUSP30 | |
| SCHEMBL473952 | 0.86 | GPR55 (0.39) | CTSCGPR55PDE3BPDE3AUSP30 | |
| SCHEMBL474376 | 0.86 | AR (0.39) | CTSCGPR55SLC5A1SLC5A2PDE3B | |
| SCHEMBL474348 | 0.84 | GPR55 (0.39) | CTSCGPR55SLC5A1SLC5A2PDE3B | |
| SCHEMBL12163826 | 0.84 | GPR55 (0.39) | CTSCGPR55SLC5A1SLC5A2PDE3B |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411365-B1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-03-19 | — | — | EP | disclosed |
| US-20130172335-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2013-07-04 | — | — | US | disclosed |
| US-8450313-B2 | 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-8268820-B2 | 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20120232071-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HUNZIKER DANIEL (CH) | 2012-09-13 | — | — | US | disclosed |
| EP-2411365-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108903-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |
| US-20100249124-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-09-30 | — | — | US | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130172335-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | NR3C1, NR3C2, MC2R | CTSC 572/4885GPR55 304/4885SLC5A1 143/4885 |
| US-20100249124-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | NR3C1, NR3C2, MC2R | CTSC 383/4885GPR55 258/4885SLC5A1 144/4885 |
| US-20120232071-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | NR3C1, NR3C2, MC2R | CTSC 572/4885GPR55 304/4885SLC5A1 143/4885 |
“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.