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Sugi Predict / Compounds / SCHEMBL5365353

SCHEMBL5365353

SCHEMBL5365353

CC(CC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)CN1CCNC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 20/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SLC22A2 O15244 1/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ ABCC3 O15438 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ MLNR O43193 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ SLCO2B1 O94956 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ PGR P06401 1/20 0.51
▸ ABCB1 P08183 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51

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
SCHEMBL2059351 0.85 CYP3A4 (0.42) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL5365349 0.83 CYP3A4 (0.57) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL7555738 0.81 CYP3A4 (0.55) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL2059354 0.81 CYP3A4 (0.55) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL2954848 0.81 CYP3A4 (0.62) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893460 0.81 CYP3A4 (0.62) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL4959500 0.81 CYP3A4 (0.62) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893239 0.81 CYP3A4 (0.62) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL4959493 0.81 CYP3A4 (0.62) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893711 0.79 CYP3A4 (0.61) CYP3A4MEN1SLC22A2SLC22A1ABCC3

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
US-7279582-B2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2007-10-09 — — US disclosed
US-20030100755-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2003-05-29 — — US disclosed
EP-1295874-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2003-03-26 — — EP disclosed
US-6472529-B2 VIRICIDES ABBOTT LABORATORIES 2002-10-29 — — US disclosed
EP-0882024-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2002-02-06 — — EP disclosed
US-20020004503-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2002-01-10 — — US disclosed
EP-1170289-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2002-01-09 — — EP disclosed
US-6284767-B1 AIDS; MIXTURE WITH ENZYME INHIBITOR ABBOTT LABORATORIES 2001-09-04 — — US disclosed
US-5914332-A NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS ABBOTT LABORATORIES (US) 1999-06-22 — — 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-20030100755-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 CYP3A4 1600/4885MEN1 3727/4885SLC22A2 3825/4885
US-20020004503-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 CYP3A4 1600/4885MEN1 3727/4885SLC22A2 3825/4885

“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.