SCHEMBL2018485

SCHEMBL2018485

Nc1ccc(N(CCO)S(N)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
TSHR P16473 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 2/20 0.38
USP2 O75604 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
AGO2 Q9UKV8 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 3/20 0.36
NT5E P21589 1/20 0.36
NR3C1 P04150 1/20 0.35
CYP3A4 P08684 3/20 0.35

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL23859846 0.83 RORC (0.46) RORCCA2L3MBTL1
Sulfuric Acid SCHEMBL624610 0.76 ALDH1A1 (0.45) TSHRCA1CA2TDP1CA12
SCHEMBL483246 0.75 ESR1 (0.56) RORCTSHRNR3C1MAPK1TP53
Sulfuric Acid SCHEMBL3359652 0.74 ALDH1A1 (0.44) TSHRCA1CA2TDP1CA12
Methanesulfonamide SCHEMBL10825984 0.71 ALDH1A1 (0.55) TSHRCA1CA2TDP1CA12
SCHEMBL28087334 0.71 ALDH1A1 (0.54) TSHRTDP1CA14CA6ALDH1A1
SCHEMBL8521178 0.71 ALDH1A1 (0.54) TSHRTDP1CA14CA6ALDH1A1
SCHEMBL33874 0.71 ALDH1A1 (0.54) TSHRTDP1CA14CA6ALDH1A1
Sulfuric Acid SCHEMBL20570213 0.70 ALDH1A1 (0.58) TSHRCA1CA2TDP1CA12
Sulfuric Acid SCHEMBL1143794 0.70 ALDH1A1 (0.58) TSHRCA1CA2TDP1CA12

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100189783-A1 RELATING TO ANTI-HIV TABLET FORMULATIONS SRI, CD4, SORD RORC 3251/4885TSHR 4154/4885CA1 2070/4885
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 RORC 4098/4885TSHR 4477/4885CA1 3626/4885
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 RORC 4565/4885TSHR 4431/4885CA1 3293/4885

“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.