Sugi Predict

Sugi Predict / Compounds / SCHEMBL8228830

SCHEMBL8228830

SCHEMBL8228830

COC(=O)N[C@H](C(=O)NN(Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccc(-c2nccs2)cc1)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGT1A1 P22309 3/20 0.64
▸ MLNR O43193 1/20 0.64
▸ NR1I2 O75469 1/20 0.64
▸ SLCO2B1 O94956 1/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ ABCB1 P08183 1/20 0.64
▸ CCKAR P32238 1/20 0.64
▸ OPRK1 P41145 1/20 0.64
▸ GHSR Q92847 1/20 0.64
▸ SLCO1B3 Q9NPD5 1/20 0.64
▸ ABCG2 Q9UNQ0 1/20 0.64
▸ SLCO1B1 Q9Y6L6 1/20 0.64
▸ KCNH2 Q12809 1/20 0.54
▸ CYP3A4 P08684 7/20 0.41
▸ CTSD P07339 3/20 0.38
▸ PTPRB P23467 1/20 0.38
▸ CARM1 Q86X55 2/20 0.36
▸ PRMT1 Q99873 2/20 0.36
▸ HSPA5 P11021 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL29623969 0.91 UGT1A1 (0.78) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6108 0.88 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL10204009 0.88 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL14240041 0.88 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8228540 0.88 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8223501 0.88 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7822599 0.88 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL1705393 0.88 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8231384 0.88 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8200543 0.88 UGT1A1 (0.83) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069303-B1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2016-03-30 — — EP disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 — — US disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 — — US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 — — US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 — — US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 — — US disclosed
WO-2008011117-A2 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-01-24 — — WO 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 (2 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-20090105279-A1 Antiviral protease inhibitors ACE, TMPRSS15, MME UGT1A1 1818/4885MLNR 3114/4885NR1I2 2092/4885
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 UGT1A1 1998/4885MLNR 3215/4885NR1I2 2108/4885

“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.