SCHEMBL15097873

SCHEMBL15097873

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

nearest known ligand 0.51

Predicted protein targets (top 20)

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
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL10034611 0.91 SPPL2A (0.54) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL12050564 0.91 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL469816 0.91 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2906368 0.89 SPPL2A (0.56) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL28799797 0.89 SPPL2A (0.56) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2906364 0.89 SPPL2A (0.56) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13567460 0.87 SPPL2A (0.55) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL20998328 0.87 SPPL2A (0.53) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13964089 0.86 SPPL2A (0.53) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1813919 0.86 SPPL2A (0.53) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643976-B2 Solvates of darunavir AUROBINDO PHARMA LTD. (IN) 2017-05-09 US disclosed
US-9643976-B2 Solvates of darunavir AUROBINDO PHARMA LTD. (IN) 2017-05-09 US disclosed
US-9127029-B2 Process for preparation of substantially pure fosamprenavir calcium and its intermediates LUPIN LIMITED (IN) 2015-09-08 US disclosed
US-9127029-B2 Process for preparation of substantially pure fosamprenavir calcium and its intermediates LUPIN LIMITED (IN) 2015-09-08 US disclosed
US-20150141382-A1 NOVEL SOLVATES OF DARUNAVIR AUROBINDO PHARMA LIMITED (IN) 2015-05-21 US disclosed
US-20150141382-A1 NOVEL SOLVATES OF DARUNAVIR AUROBINDO PHARMA LIMITED (IN) 2015-05-21 US disclosed
US-8877947-B2 Process for preparation of substantially pure fosamprenavir calcium and its intermediates LUPIN LIMITED (IN) 2014-11-04 US disclosed
US-8877947-B2 Process for preparation of substantially pure fosamprenavir calcium and its intermediates LUPIN LIMITED (IN) 2014-11-04 US disclosed
US-20140256959-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2014-09-11 US disclosed
US-20140256959-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2014-09-11 US disclosed
US-20130174651-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2013-07-11 US disclosed
US-20130174651-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2013-07-11 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-20150141382-A1 NOVEL SOLVATES OF DARUNAVIR DARS1, SAMHD1, SARS1 SPPL2A 4249/4885MLNR 4299/4885ABCB11 101/4885
US-20140256959-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES PLCB3, ITPR3, ITPR2 SPPL2A 1150/4885MLNR 2161/4885ABCB11 3996/4885
US-20130174651-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES PLCB3, ITPR3, ITPR2 SPPL2A 1150/4885MLNR 2161/4885ABCB11 3996/4885

“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.