Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.59 |
| ▸ | FYN | P06241 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.46 |
| ▸ | TPMT | P51580 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.41 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.41 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18503825 | 0.96 | LCK (0.54) | LCKFYNCYP1A2PSIP1TPMT | |
| SCHEMBL29639641 | 0.87 | TPMT (0.55) | LCKFYNCYP1A2PSIP1TPMT | |
| SCHEMBL22926203 | 0.87 | TPMT (0.55) | LCKFYNCYP1A2PSIP1TPMT | |
| SCHEMBL27629764 | 0.85 | LCK (0.44) | LCKFYNCYP1A2PSIP1TPMT | |
| SCHEMBL3080953 | 0.83 | LCK (0.50) | LCKFYNCYP1A2CA12CA2 | |
| Propane SCHEMBL28160939 | 0.81 | LCK (0.83) | LCKFYNCYP1A2TPMTCA12 | |
| SCHEMBL29453097 | 0.80 | CYP2C19 (0.55) | PSIP1CA2CA1ALDH1A1LMNA | |
| SCHEMBL35184 | 0.80 | CYP2C19 (0.55) | PSIP1CA2CA1ALDH1A1LMNA | |
| SCHEMBL16418242 | 0.80 | DHODH (0.50) | CA12CA2CA9SMN1; SMN2TDP1 | |
| SCHEMBL31706200 | 0.79 | HCAR2 (0.52) | LCKFYNCYP1A2PSIP1ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8299267-B2 | (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating | COMENTIS, INC. (US) | 2012-10-30 | — | — | US | disclosed |
| US-20100286170-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC | 2010-11-11 | — | — | US | disclosed |
| US-20100286145-A1 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | COMENTIS, INC. (US) | 2010-11-11 | — | — | US | disclosed |
| EP-2205596-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2010-07-14 | — | — | EP | disclosed |
| EP-2178837-A2 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | COMENTIS, INC. (US) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009042694-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2009-04-02 | — | — | WO | disclosed |
| WO-2009015369-A2 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2009-01-29 | — | — | 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-20100286145-A1 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | BACE1, BACE2, APP | LCK 4128/4885FYN 2224/4885CYP1A2 2962/4885 |
| US-20100286170-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | BACE1, BACE2, PSEN1 | LCK 3472/4885FYN 1445/4885CYP1A2 3830/4885 |
“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.