SCHEMBL4950328

SCHEMBL4950328

O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.65
TRPM8 Q7Z2W7 1/20 0.56
CTSB P07858 3/20 0.54
TACR1 P25103 3/20 0.52
CTSL P07711 5/20 0.51
CTSK P43235 4/20 0.51
CTSS P25774 4/20 0.51
SPPL2A Q8TCT8 1/20 0.48
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46

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
SCHEMBL9015424 0.93 CTRB1 (0.57) CTRB1TRPM8CTSBTACR1CTSL
SCHEMBL7303656 0.93 CTRB1 (0.57) CTRB1TRPM8CTSBTACR1CTSL
SCHEMBL15159955 0.91 KLK5 (0.59) CTRB1TRPM8CTSBCTSLCTSK
SCHEMBL16283136 0.91 KLK5 (0.59) CTRB1TRPM8CTSBCTSLCTSK
SCHEMBL7342899 0.90 CTRB1 (0.60) CTRB1TRPM8CTSBTACR1CTSL
SCHEMBL7303011 0.90 CYP3A4 (0.63) CTRB1TRPM8CTSBTACR1CTSL
SCHEMBL7569915 0.90 CYP3A4 (0.63) CTRB1TRPM8CTSBTACR1CTSL
SCHEMBL7305488 0.90 CYP3A4 (0.63) CTRB1TRPM8CTSBTACR1CTSL
SCHEMBL7298831 0.90 CTRB1 (0.53) CTRB1TRPM8CTSBTACR1CTSL
SCHEMBL7301720 0.89 CTRB1 (0.52) CTRB1TRPM8CTSBTACR1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1302468-B1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LAB (US) 2008-12-17 EP disclosed
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-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2003-01-02 EP disclosed
EP-0727419-B1 Intermediates for the preparation of retroviral protease inhibiting compounds ABBOTT LAB (US) 2002-02-27 EP disclosed
EP-0732923-B1 Pharmaceutical compositions containing HIV protease inhibitors ABBOTT LAB (US) 2001-12-12 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-5559158-A PROTEASE INHIBITOR ADSORBED ON SILICA, MICROCRYSTALLINE CELLULOSE, IMPROVED BIOAVAILABILITY,TREATMENT OF HIV ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US 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-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US 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
US-5484801-A Pharmaceutical composition for inhibiting HIV protease ABBOTT LABORATORIES (US) 1996-01-16 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP 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 CTRB1 172/4885TRPM8 4395/4885CTSB 44/4885

“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.