SCHEMBL469816

SCHEMBL469816

CN[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.51
MLNR O43193 1/20 0.49
ABCB11 O95342 1/20 0.49
LMNA P02545 1/20 0.49
CTSD P07339 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP3A5 P20815 1/20 0.49
CNR1 P21554 1/20 0.49
TBXAS1 P24557 1/20 0.49
ADRA1A P35348 1/20 0.49
ABCB1 P08183 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
KCND3 Q9UK17 1/20 0.46

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
SCHEMBL12050564 1.00 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL10034611 0.92 SPPL2A (0.54) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL15097873 0.91 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2906368 0.90 SPPL2A (0.56) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL28799797 0.90 SPPL2A (0.56) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2906364 0.90 SPPL2A (0.56) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13567460 0.88 SPPL2A (0.55) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1813919 0.87 SPPL2A (0.53) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13964089 0.87 SPPL2A (0.53) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL12050586 0.87 MLNR (0.61) SPPL2AMLNRABCB11LMNACTSD

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-8703980-B2 Process for the preparation of darunavir TIANISH LABORATORIES PRIVATE LIMITED (IN) 2014-04-22 US disclosed
WO-2012032389-A2 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2012-03-15 WO disclosed
US-8076513-B2 Methods for the preparation of N-isobutyl-N-(2-hydroxy-3-amino-4-phenylbutyl)-p-nitrobenzenesulfonylamide derivatives TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-12-13 US disclosed
US-20100121094-A1 METHODS FOR THE PREPARATION OF N-ISOBUTYL-N-(2-HYDROXY-3-AMINO-4-PHENYLBUTYL)-P-NITROBENZENESULFONYLAMIDE DERIVATIVES TIBOTEC PHARMACEUTICALS LTD 2010-05-13 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-20100121094-A1 METHODS FOR THE PREPARATION OF N-ISOBUTYL-N-(2-HYDROXY-3-AMINO-4-PHENYLBUTYL)-P-NITROBENZENESULFONYLAMIDE DERIVATIVES DNPEP, NPEPPS, ASNS SPPL2A 1416/4885MLNR 407/4885ABCB11 4369/4885

“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.