SCHEMBL6596

SCHEMBL6596

CC[C@H](C)[C@H](NC(=O)OC)C(=O)NN(Cc1ccc(-c2cncs2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.63
MLNR O43193 1/20 0.63
NR1I2 O75469 1/20 0.63
SLCO2B1 O94956 1/20 0.63
ABCB11 O95342 1/20 0.63
ABCB1 P08183 1/20 0.63
CCKAR P32238 1/20 0.63
OPRK1 P41145 1/20 0.63
GHSR Q92847 1/20 0.63
SLCO1B3 Q9NPD5 1/20 0.63
ABCG2 Q9UNQ0 1/20 0.63
SLCO1B1 Q9Y6L6 1/20 0.63
KCNH2 Q12809 1/20 0.51
CYP3A4 P08684 2/20 0.48
BACE1 P56817 1/20 0.41
CTSD P07339 5/20 0.41
REN P00797 1/20 0.41
CTSE P14091 1/20 0.40
PGC P20142 1/20 0.40
PSEN1 P49768 7/20 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
SCHEMBL6887 0.97 UGT1A1 (0.63) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6169 0.95 UGT1A1 (0.67) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6164 0.94 UGT1A1 (0.54) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6550 0.94 UGT1A1 (0.54) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6837 0.93 UGT1A1 (0.62) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6749 0.92 UGT1A1 (0.67) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6229 0.91 UGT1A1 (0.51) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6221 0.90 MLNR (0.52) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7857673 0.90 MLNR (0.52) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL5977 0.89 UGT1A1 (0.66) UGT1A1MLNRNR1I2SLCO2B1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900210-B1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 2005-02-09 EP claimed
US-6166004-A Combinations of HIV protease inhibitors with reverse transcriptase inhibitors NOVARTIS FINANCE CORPORATION (US) 2000-12-26 US claimed
US-5849911-A Antivirally active heterocyclic azahexane derivatives NOVARTIS FINANCE CORPORATION (US) 1998-12-15 US claimed
US-20130317040-A1 METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS USING HIV PROTEASE INHIBITORS THE FEINSTEIN INSTITUTE OF MEDICAL RESEARCH (US) 2013-11-28 US disclosed
EP-0900210-B1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 2005-02-09 EP disclosed
US-6300519-B1 REACTING HYDRAZINE DERIVATIVE WITH EPOXIDE COMPOUND NOVARTIS FINANCE CORPORATION 2001-10-09 US disclosed
US-6166004-A Combinations of HIV protease inhibitors with reverse transcriptase inhibitors NOVARTIS FINANCE CORPORATION (US) 2000-12-26 US disclosed
US-6110946-A AN ENZYME INHIBITORS OF RETROVIRAL ASPARTATE PROTEASE FOR THE TREATMENT OF AIDS NOVARTIS FINANCE CORPORATION (US) 2000-08-29 US disclosed
US-5849911-A Antivirally active heterocyclic azahexane derivatives NOVARTIS FINANCE CORPORATION (US) 1998-12-15 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-20130317040-A1 METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS USING HIV PROTEASE INHIBITORS SSB, PREP, SERPINB1 UGT1A1 1957/4885MLNR 2261/4885NR1I2 3297/4885

“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.