SCHEMBL5226599

SCHEMBL5226599

CON(C)C(=O)[C@H](CSc1ccc2ccccc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.51
BTK Q06187 1/20 0.51
CTSS P25774 4/20 0.46
CTSK P43235 3/20 0.46
CTSB P07858 2/20 0.46
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
PPARA Q07869 6/20 0.41
PPARG P37231 5/20 0.41
PTPN1 P18031 1/20 0.40
PPARD Q03181 2/20 0.40
MMP13 P45452 1/20 0.40
ACE P12821 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ANPEP P15144 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL7313432 0.88 JAK3 (0.58) JAK3BTKCTSSCTSKCTSB
SCHEMBL5228193 0.85 PPARA (0.57) CTSSCTSKCTSBGABRB1GABRB2
SCHEMBL7289392 0.85 PPARA (0.57) CTSSCTSKCTSBGABRB1GABRB2
SCHEMBL7250898 0.85 PPARA (0.57) CTSSCTSKCTSBGABRB1GABRB2
SCHEMBL5993911 0.83 CTSS (0.63) JAK3BTKCTSSCTSKCTSB
SCHEMBL29436793 0.83 CTSS (0.63) JAK3BTKCTSSCTSKCTSB
SCHEMBL22255804 0.83 CTSS (0.63) JAK3BTKCTSSCTSKCTSB
SCHEMBL8977885 0.83 CTSS (0.52) CTSSCTSKCTSBGABRB1GABRB2
SCHEMBL7449431 0.78 PPARA (0.67) JAK3BTKCTSSCTSKCTSB
SCHEMBL18549279 0.78 JAK3 (0.56) JAK3BTKCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 EP disclosed
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 EP disclosed
US-20030216569-A1 Method of making HIV protease inhibitors DRESSMAN BRUCE A (US) 2003-11-20 US disclosed
EP-1340744-A2 Hiv protease inhibitors Agouron Pharmaceuticals, Inc. (US) 2003-09-03 EP disclosed
US-6525215-B2 As antiviral agents suitable for therapy of patients or hosts infected with the HIV virus, which is known to cause AIDS AGOURON PHARMACEUTICALS, INC. 2003-02-25 US disclosed
US-20020077338-A1 HIV protease inhibitors DRESSMAN BRUCE A (US) 2002-06-20 US disclosed
US-6271235-B1 VIRICIDE AGOURON PHARMACEUTICALS, INC. 2001-08-07 US disclosed
US-6162812-A Pharmaceutical compositions containing HIV protease inhibitors and methods of their use AGOURON PHARMACEUTICALS, INC. (US) 2000-12-19 US disclosed
US-5952343-A VIRICIDES; SPECIFICITY; NONTOXIC AGOURON PHARMACEUTICALS, INC. 1999-09-14 US disclosed
US-5859002-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1999-01-12 US disclosed
US-5846993-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-12-08 US disclosed
US-5834467-A AIDS TREATMENT; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-11-10 US disclosed
US-5827859-A ADMINISTERED TO TREAT AIDS; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827891-A FOR TREATMENT OF AIDS, BLOCKING REPLICATION OF HIV VIRUS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 US disclosed
EP-0604183-B1 Inhibitors of HIV protease useful for the treatment of aids LILLY CO ELI (US) 1997-03-05 EP disclosed
US-5475136-A Inhibitors of HIV protease useful for the treatment of AIDS ELI LILLY AND COMPANY (US) 1995-12-12 US disclosed
US-5434265-A Inhibitors of HIV protease ELI LILLY AND COMPANY (US) 1995-07-18 US disclosed
EP-0604183-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 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 (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-20020077338-A1 HIV protease inhibitors PREP, PRSS1, SERPINB1 JAK3 3292/4885BTK 4202/4885CTSS 15/4885
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP JAK3 3631/4885BTK 4187/4885CTSS 33/4885

“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.