SCHEMBL7181197

SCHEMBL7181197

N[C@H](Cc1cncs1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.54
MEN1 O00255 1/20 0.53
SLC22A2 O15244 1/20 0.53
SLC22A1 O15245 1/20 0.53
ABCC3 O15438 1/20 0.53
ABCC4 O15439 1/20 0.53
MLNR O43193 1/20 0.53
NR1I2 O75469 1/20 0.53
SLCO2B1 O94956 1/20 0.53
ABCB11 O95342 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PGR P06401 1/20 0.53
ABCB1 P08183 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CHRM1 P11229 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL7196078 1.00 CYP3A4 (0.54) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893383 0.98 CYP3A4 (0.55) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893198 0.98 CYP3A4 (0.55) CYP3A4MEN1SLC22A2SLC22A1ABCC3
Hydrochloric Acid SCHEMBL7389969 0.97 CYP3A4 (0.55) CYP3A4MEN1SLC22A2SLC22A1ABCC3
Hydrochloric Acid SCHEMBL31236647 0.97 CYP3A4 (0.55) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL2954848 0.88 CYP3A4 (0.62) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893460 0.88 CYP3A4 (0.62) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL16281945 0.87 CYP3A4 (0.59) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL4956629 0.86 CYP3A4 (0.61) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL4961170 0.86 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 EP claimed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 EP claimed
US-5659045-A AIDS THERAPY ABBOTT LABORATORIES (US) 1997-08-19 US claimed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP 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-0727419-B1 Intermediates for the preparation of retroviral protease inhibiting compounds ABBOTT LAB (US) 2002-02-27 EP 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
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
EP-0674513-A4 1995-10-25 EP disclosed
EP-0674513-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-10-04 EP disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 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 (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 1658/4885MEN1 2492/4885SLC22A2 3838/4885

“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.