Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.48 |
| ▸ | CA1 | P00915 | 5/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Aniline SCHEMBL11571617 | 0.81 | CA2 (0.48) | CA2CA1CA12CA14CA7 | |
| Styrene SCHEMBL10482228 | 0.80 | ALDH1A1 (0.45) | CA2CA1CA12CA14CA7 | |
| SCHEMBL1012552 | 0.79 | — | — | |
| Aniline SCHEMBL9310054 | 0.76 | TSHR (0.52) | TSHRCYP2C19BACE1ALDH1A1 | |
| Benzene SCHEMBL11602322 | 0.74 | CA1 (0.52) | CA2CA1CA12CA14CA7 | |
| Aniline SCHEMBL3156113 | 0.73 | TSHR (0.61) | CA2CA1CA12CA14CA7 | |
| Aniline SCHEMBL28683241 | 0.72 | TSHR (0.48) | CA2CA1PRMT1CA9CA5A | |
| Aniline SCHEMBL28143089 | 0.72 | TSHR (0.69) | TSHRCYP2C19ALDH1A1CYP2D6 | |
| Aniline SCHEMBL4582474 | 0.72 | TSHR (0.69) | CA2CA1CA12CA14CA7 | |
| SCHEMBL2563975 | 0.72 | CYP3A4 (0.70) | CA2CA1CA12CA14CA7 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102131815-B | Process for the preparation of (3R,3AS,6AR) -hexahydrofuro [2,3-B ] furan-3-yl (1S,2R) -3- [ [ (4-aminophenyl) sulfonyl ] (isobutyl) amino ] -1-benzyl-2-hydroxypropyl carbamate | TIBOTEC PHARMACEUTICALS (IE) | 2014-10-15 | — | — | CN | disclosed |
| EP-2346877-B1 | PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B]FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL](ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | JANSSEN R & D IRELAND (IE) | 2014-08-20 | — | — | EP | disclosed |
| US-8580981-B2 | Process for the preparation of (3R,3aS,6aR)-hexahydrofuro [2,3-b] furan-3-yl (1S,2R)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate | JANSSEN R&D IRELAND (IE) | 2013-11-12 | — | — | US | disclosed |
| CN-1898248-B | Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate | TIBOTEC PHARM LTD | 2011-08-17 | — | — | CN | disclosed |
| EP-2346877-A1 | PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B]FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL](ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | Tibotec Pharmaceuticals (IE) | 2011-07-27 | — | — | EP | disclosed |
| CN-102131815-A | Process for the preparation of (3R,3AS,6AR) -hexahydrofuro [2,3-B ] furan-3-yl (1S,2R) -3- [ [ (4-aminophenyl) sulfonyl ] (isobutyl) amino ] -1-benzyl-2-hydroxypropyl carbamate | TIBOTEC PHARM LTD | 2011-07-20 | — | — | CN | disclosed |
| US-20110160468-A1 | PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | JANSSEN SCIENCES IRELAND UC (IE) | 2011-06-30 | — | — | US | disclosed |
| CN-101820865-A | anti-HIV tablet formulation comprising darunavir | TIBOTEC PHARM LTD | 2010-09-01 | — | — | CN | disclosed |
| US-7772411-B2 | Process for the preparation of (3R,3aS,6aR)-hexahydrofuro [2,3-b] furan-3-yl (1S,2R)-3[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2010-08-10 | — | — | US | disclosed |
| US-20100189783-A1 | RELATING TO ANTI-HIV TABLET FORMULATIONS | JANSSEN PHARMACEUTICA NV (BE) | 2010-07-29 | — | — | US | disclosed |
| WO-2010023322-A1 | PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | TIBOTEC PHARMACEUTICALS (IE) | 2010-03-04 | — | — | WO | disclosed |
| EP-1725566-B1 | PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | TIBOTEC PHARM LTD (IE) | 2009-06-17 | — | — | EP | disclosed |
| US-20070060642-A1 | Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate | JANSSEN SCIENCES IRELAND UC (IE) | 2007-03-15 | — | — | US | disclosed |
| CN-1898248-A | Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate | TIBOTEC PHARM LTD (IE) | 2007-01-17 | — | — | CN | 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-20100189783-A1 | RELATING TO ANTI-HIV TABLET FORMULATIONS | SRI, CD4, SORD | CA2 3747/4885CA1 2070/4885CA12 2236/4885 |
| US-20110160468-A1 | PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | HTR3C, HPD, HAAO | CA2 3095/4885CA1 3626/4885CA12 4759/4885 |
| US-20070060642-A1 | Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate | HPD, HTR3C, HAAO | CA2 2351/4885CA1 3293/4885CA12 4628/4885 |
“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.