Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CDC42 | P60953 | 1/20 | 0.54 |
| ▸ | RAC1 | P63000 | 1/20 | 0.54 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.54 |
| ▸ | LDHA | P00338 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ACP3 | P15309 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11850233 | 0.94 | APP (0.52) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL4422760 | 0.84 | TSHR (0.47) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL11745382 | 0.84 | AKR1C3 (0.69) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL7282004 | 0.82 | CA1 (0.52) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL7798228 | 0.82 | KDM4E (0.55) | AKR1C3AKR1C2PTGS1LDHAL3MBTL1 | |
| SCHEMBL9451975 | 0.81 | CES2 (0.53) | CYP1A2CA1CA2ALDH1A1MAPK1 | |
| SCHEMBL4643994 | 0.81 | TSHR (0.44) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL11753600 | 0.80 | L3MBTL1 (0.56) | PTGS2CYP1A2CA1CA2ACP3 | |
| SCHEMBL6481469 | 0.80 | SMN1; SMN2 (0.52) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL496445 | 0.79 | RAB9A (0.46) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 |
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-2411361-B1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-06-18 | — | — | EP | disclosed |
| 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 |
| US-8138189-B2 | Substituted benzene compounds as modulators of the glucocorticoid receptor | HOFFMAN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| EP-2411361-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | 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-20100249139-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-09-30 | — | — | US | 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 |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |
| US-6939888-B2 | 1-H-3-arylpirrolidine-2,4-dione derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2005-09-06 | — | — | US | disclosed |
| US-20040019061-A1 | 1-H-3-arylpirrolidine-2,4-dione derivatives | FISCHER REINER (DE) | 2004-01-29 | — | — | US | disclosed |
| US-6472419-B1 | 1-H-3-aryl-pyrrolidine-2, 4-dione derivatives as pest-control agents | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-29 | — | — | 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 (5 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-20100249139-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | NR3C1, NR3C2, CRHR1 | AKR1C3 97/4885AKR1C2 154/4885PTGS2 1253/4885 |
| US-20130172335-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | NR3C1, NR3C2, MC2R | AKR1C3 101/4885AKR1C2 194/4885PTGS2 1239/4885 |
| US-20100249124-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | NR3C1, NR3C2, MC2R | AKR1C3 74/4885AKR1C2 141/4885PTGS2 1267/4885 |
| US-20120232071-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | NR3C1, NR3C2, MC2R | AKR1C3 101/4885AKR1C2 194/4885PTGS2 1239/4885 |
| US-20040019061-A1 | 1-H-3-arylpirrolidine-2,4-dione derivatives | PRXL2A, DDT, CYP4B1 | AKR1C3 789/4885AKR1C2 1019/4885PTGS2 790/4885 |
“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.