SCHEMBL2959941

SCHEMBL2959941

CC(C)C(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BACE1 P56817 6/20 0.41
CTSD P07339 3/20 0.41
MLNR O43193 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41
CNR1 P21554 1/20 0.41
TBXAS1 P24557 1/20 0.41
ADRA1A P35348 1/20 0.41
BACE2 Q9Y5Z0 2/20 0.40
GAA P10253 1/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL15129339 0.88 NPC1 (0.47) BCHENPC1RAB9ABACE1CTSD
SCHEMBL5031174 0.87 KLK5 (0.52) CTSDMLNRABCB11LMNACYP3A4
SCHEMBL1237433 0.80 BACE1 (0.39) BCHEBACE1CTSDBACE2
SCHEMBL6396047 0.79 MMP1 (0.48) BCHEBACE1CTSDBACE2
SCHEMBL4353108 0.78 ENPP2 (0.42)
SCHEMBL5174729 0.78 SPPL2A (0.49) BACE1CTSDBACE2
SCHEMBL8900771 0.78 MMP1 (0.46) BACE1CTSDBACE2
SCHEMBL14637748 0.78 BCHE (0.53) BCHENPC1RAB9ABACE1
SCHEMBL14636685 0.78 BCHE (0.53) BCHENPC1RAB9ABACE1
SCHEMBL4973877 0.77 SPPL2A (0.48) NPC1RAB9ACTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 (1 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-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 BCHE 288/4885NPC1 2425/4885RAB9A 3641/4885

“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.