Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 4/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.33 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | P2RY10 | O00398 | 1/20 | 0.32 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | Q9HBH1 | 1/20 | 0.31 | |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.31 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1200279 | 1.00 | CA1 (0.42) | CA1CA2ZDHHC7S1PR1S1PR3 | |
| SCHEMBL3210327 | 0.98 | CA1 (0.43) | CA1CA2ZDHHC7S1PR1S1PR3 | |
| SCHEMBL3210314 | 0.98 | CA1 (0.43) | CA1CA2ZDHHC7S1PR1S1PR3 | |
| Bromide SCHEMBL1199909 | 0.90 | CA1 (0.37) | CA1CA2ZDHHC7LMNAKIF11 | |
| Bromide SCHEMBL1199908 | 0.90 | CA1 (0.37) | CA1CA2ZDHHC7LMNAKIF11 | |
| SCHEMBL3185298 | 0.88 | CA1 (0.38) | CA1CA2ZDHHC7S1PR1S1PR3 | |
| SCHEMBL3185290 | 0.88 | CA1 (0.38) | CA1CA2ZDHHC7S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL3871931 | 0.87 | CA1 (0.37) | CA1CA2ZDHHC7LMNAKIF11 | |
| Hydrochloric Acid SCHEMBL3871923 | 0.87 | CA1 (0.37) | CA1CA2ZDHHC7LMNAKIF11 | |
| Bromide SCHEMBL1199534 | 0.83 | CA1 (0.35) | CA1CA2ZDHHC7S1PR1S1PR3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140221478-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2014-08-07 | — | — | US | disclosed |
| US-8748649-B2 | Di-fluoro containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2014-06-10 | — | — | US | disclosed |
| US-20140018421-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2014-01-16 | — | — | US | disclosed |
| US-8367732-B2 | Di-fluoro containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2011-07-14 | — | — | US | disclosed |
| US-7893112-B2 | N-(1-cyanocyclopropyl)-4,4-difluoro-2(S)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino)octamide; rheumatoid arthritis, multiple sclerosis, myasthenia gravis, psoriasis, pemphigus vulgaris, Graves' disease, myasthenia gravis, lupus, asthma, pain, atherosclerosis; cathepsins B, K, L, F, and S inhibitors | VIROBAY, INC. (US) | 2011-02-22 | — | — | US | disclosed |
| EP-2262370-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Virobay, Inc. (US) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009123623-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2009-10-08 | — | — | WO | disclosed |
| US-20080293819-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2008-11-27 | — | — | 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 (4 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-20080293819-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CA1 634/4885CA2 885/4885ZDHHC7 626/4885 |
| US-20140221478-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CA1 634/4885CA2 885/4885ZDHHC7 626/4885 |
| US-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CA1 634/4885CA2 885/4885ZDHHC7 626/4885 |
| US-20140018421-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | CA1 634/4885CA2 885/4885ZDHHC7 626/4885 |
“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.