Sugi Predict

Sugi Predict / Compounds / SCHEMBL1104908

SCHEMBL1104908

SCHEMBL1104908

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 1/20 0.57
▸ MLNR O43193 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CTSD P07339 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP3A5 P20815 1/20 0.55
▸ CNR1 P21554 1/20 0.55
▸ TBXAS1 P24557 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ ABCB1 P08183 1/20 0.52
▸ KCNE1 P15382 1/20 0.52
▸ KCNQ1 P51787 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ SCN5A Q14524 1/20 0.52
▸ KCND3 Q9UK17 1/20 0.52

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
SCHEMBL13569346 1.00 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2961490 1.00 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2218623 1.00 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL12103338 1.00 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13537888 0.93 SPPL2A (0.55) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13537866 0.92 MMP1 (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13361096 0.92 MMP1 (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL15131958 0.91 SPPL2A (0.54) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13537867 0.91 MMP1 (0.50) —
SCHEMBL8215291 0.91 MMP1 (0.49) 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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685322-A Growth method of anti-HIV drug intermediate crystal, obtained crystal and application thereof 上海飞腾医药科技有限公司 2022-07-01 — — CN disclosed
EP-2804869-B1 NOVEL SOLVATES OF DARUNAVIR AUROBINDO PHARMA LTD (IN) 2019-06-12 — — EP disclosed
US-20180162870-A1 Process for the Preparation of Darunavir AMNEAL PHARMACEUTICALS COMPANY GMBH (CH) 2018-06-14 — — US disclosed
US-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 — — US disclosed
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-9643976-B2 Solvates of darunavir AUROBINDO PHARMA LTD. (IN) 2017-05-09 — — US disclosed
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LIMITED (IN) 2016-12-08 — — US disclosed
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LIMITED (IN) 2016-12-08 — — US disclosed
US-9475821-B2 Process for preparation of Darunavir LAURUS LABS PRIVATE LIMITED (IN) 2016-10-25 — — US disclosed
EP-1937655-A1 HIV-1 PROTEASE INHIBITORS, AND METHODS OF MAKING AND USING THEM University of Massachusetts (US) 2008-07-02 — — EP disclosed
WO-2008055970-A2 METHODS FOR THE PREPARATION OF HEXAHYDROFURO[2,3-B]FURAN-3-OL TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-05-15 — — WO 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
WO-2007002173-A1 HIV-1 PROTEASE INHIBITORS, AND METHODS OF MAKING AND USING THEM UNIVERSITY OF MASSACHUSETTS (US) 2007-01-04 — — WO disclosed
EP-1066276-B1 PROCESS FOR THE SYNTHESIS OF HIV PROTEASE INHIBITORS GLAXO GROUP LTD (GB) 2003-06-11 — — EP disclosed
EP-0774453-B1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO KK (JP) 2002-02-06 — — EP disclosed
US-6281367-B1 REACTING P-NITROSULFONYL GROUP WITH AN AMINOALCOHOL GLAXO WELLCOME INC. 2001-08-28 — — US disclosed
EP-1097919-A2 Process for producing 4-amino-3-oxo-butanoic acid ester Ajinomoto Co., Inc. (JP) 2001-05-09 — — EP disclosed
EP-0774453-A1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives Ajinomoto Co., Inc. (JP) 1997-05-21 — — EP 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-20180162870-A1 Process for the Preparation of Darunavir SAMHD1, IGLV6-57, UGT2B7 SPPL2A 2998/4885MLNR 3672/4885ABCB11 504/4885
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, CYP3A5, DARS1 SPPL2A 4665/4885MLNR 3645/4885ABCB11 408/4885
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 SPPL2A 1288/4885MLNR 2506/4885ABCB11 1831/4885

“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.