Sugi Predict

Sugi Predict / Compounds / SCHEMBL1980245

SCHEMBL1980245

SCHEMBL1980245

CC(C)CSC(O[C@@H](C[C@H](Cc1ccccc1)N(C(=O)N(C)Cc1csc(C(C)C)n1)[C@H](C(N)=O)C(C)C)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 20/20 0.58
▸ CYP2D6 P10635 6/20 0.58
▸ CYP2C19 P33261 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2C9 P11712 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ SLC22A2 O15244 1/20 0.55
▸ SLC22A1 O15245 1/20 0.55
▸ ABCC3 O15438 1/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ MLNR O43193 1/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ SLCO2B1 O94956 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ PGR P06401 1/20 0.55
▸ ABCB1 P08183 1/20 0.55
▸ HTR1A P08908 1/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55

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
SCHEMBL1978154 0.91 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL1981664 0.89 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL1977691 0.89 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL1977827 0.88 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL1978836 0.88 CYP3A4 (0.61) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL1979331 0.88 CYP3A4 (0.69) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL1978507 0.87 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL1977717 0.86 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL1980246 0.84 CYP3A4 (0.77) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL1979206 0.79 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426388-B2 Prodrugs of HIV protease inhibitors ABBVIE INC. (US) 2013-04-23 — — US disclosed
EP-1773850-B1 PRODRUGS OF HIV PROTEASE INHIBITORS ABBOTT LAB (US) 2013-01-30 — — EP disclosed
EP-2336138-A2 Prodrugs of HIV protease inhibitors ABBOTT LABORATORIES (US) 2011-06-22 — — EP disclosed
US-20100286032-A1 PRODRUGS OF HIV PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2010-11-11 — — US disclosed
US-7718633-B2 Prodrugs of HIV protease inhibitors ABBOTT LABORATORIES (US) 2010-05-18 — — US disclosed
US-20070270383-A1 Prodrugs of HIV protease inhibitors ABBVIE INC. 2007-11-22 — — 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 (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-20100286032-A1 PRODRUGS OF HIV PROTEASE INHIBITORS PREP, PEPD, SERPINB1 CYP3A4 151/4885CYP2D6 265/4885CYP2C19 154/4885
US-20070270383-A1 Prodrugs of HIV protease inhibitors PREP, PEPD, SERPINB1 CYP3A4 151/4885CYP2D6 265/4885CYP2C19 154/4885

“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.