Sugi Predict

Sugi Predict / Compounds / SCHEMBL7181349

SCHEMBL7181349

SCHEMBL7181349

CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@H](Cc2cncs2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 20/20 0.81
▸ CYP2D6 P10635 6/20 0.81
▸ CYP2C19 P33261 3/20 0.81
▸ CYP2C9 P11712 3/20 0.81
▸ MEN1 O00255 1/20 0.81
▸ SLC22A2 O15244 1/20 0.81
▸ SLC22A1 O15245 1/20 0.81
▸ ABCC3 O15438 1/20 0.81
▸ ABCC4 O15439 1/20 0.81
▸ MLNR O43193 1/20 0.81
▸ NR1I2 O75469 1/20 0.81
▸ SLCO2B1 O94956 1/20 0.81
▸ ABCB11 O95342 1/20 0.81
▸ ALDH1A1 P00352 1/20 0.81
▸ PGR P06401 1/20 0.81
▸ ABCB1 P08183 1/20 0.81
▸ HTR1A P08908 1/20 0.81
▸ ADRA2A P08913 1/20 0.81
▸ ADORA3 P0DMS8 1/20 0.81
▸ MAPT P10636 1/20 0.81

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
SCHEMBL8947142 1.00 CYP3A4 (0.81) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7179463 0.98 CYP3A4 (0.85) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7179449 0.97 CYP3A4 (0.77) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7186272 0.95 CYP3A4 (0.80) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7179293 0.92 CYP3A4 (0.81) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7174097 0.92 CYP3A4 (0.96) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7184080 0.92 CYP3A4 (0.82) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL28805838 0.91 CYP3A4 (0.76) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7180295 0.91 CYP3A4 (0.76) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7182301 0.90 CYP3A4 (0.80) CYP3A4CYP2D6CYP2C19CYP2C9MEN1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583232-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 — — US claimed
US-6667404-B2 Carbamylation of 1-amino group of 1,4-amino-3-hydroxybutane derivative with an organocarbonate containing thiazolyl, oxazolyl, isoxazolyl or isothiazolyl substituent ABBOTT LABORATORIES 2003-12-23 — — US disclosed
US-20030195362-A1 Retroviral protease inhibiting compounds KEMPF DALE J (US) 2003-10-16 — — US disclosed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 — — EP disclosed
US-6531610-B1 Intermediate acylating carbonate ABBOTT LABORATORIES 2003-03-11 — — US disclosed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 — — EP disclosed
US-6150530-A AMIDATION OF AMINE WITH ACID ABBOTT LABORATORIES (US) 2000-11-21 — — US disclosed
US-6017928-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2000-01-25 — — US disclosed
US-5892052-A Process for making retroviral protease inhibiting compounds ABBOTT LABORTORIES (US) 1999-04-06 — — US disclosed
US-5886036-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1999-03-23 — — US disclosed
US-5597927-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 — — US disclosed
US-5591860-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-07 — — US disclosed
US-5583232-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 — — US disclosed
US-5580984-A 1-OXA-3-AZA-2-BORINE INTERMEDIATES ABBOTT LABORATORIES (US) 1996-12-03 — — US disclosed
US-5565418-A PREPARING CARBAMATE INTERMEDIATES BY REACTING SUBSTITUTED HYDROXYDIAMINE COMPOUND WITH ONE AMINE PROTECTED WITH ACTIVATED ACYLATING AGENT, DEPROTECTING ABBOTT LABORATORIES (US) 1996-10-15 — — US disclosed
EP-0674513-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 1996-09-25 — — EP disclosed
US-5552558-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-09-03 — — US disclosed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 — — EP disclosed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 — — US disclosed
US-5539122-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-07-23 — — 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-20030195362-A1 Retroviral protease inhibiting compounds PREP, SERPINB1, PRSS1 CYP3A4 1658/4885CYP2D6 2366/4885CYP2C19 2148/4885

“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.