SCHEMBL2780646

SCHEMBL2780646

COC(=O)N[C@@H](Cc1ccccc1Br)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
ITGB2 P05107 3/20 0.43
ICAM1 P05362 3/20 0.43
ITGAL P20701 3/20 0.43
MME P08473 4/20 0.42
ACE P12821 4/20 0.42
CPA1 P15085 3/20 0.42
ACE2 Q9BYF1 3/20 0.42
FPR2 P25090 3/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL16267725 1.00 CTSS (0.55) CTSSCTSKPPARGPPARAALDH1A1
SCHEMBL9849060 1.00 CTSS (0.55) CTSSCTSKPPARGPPARAALDH1A1
SCHEMBL16267699 0.88 CTSS (0.52) CTSSCTSKALDH1A1KMT2A
SCHEMBL9849180 0.88 CTSS (0.52) CTSSCTSKALDH1A1KMT2A
SCHEMBL9849175 0.88 CTSS (0.52) CTSSCTSKALDH1A1KMT2A
SCHEMBL3560345 0.86 CTSS (0.73) CTSSCTSKPPARGPPARAACE
SCHEMBL3560344 0.86 CTSS (0.73) CTSSCTSKPPARGPPARAACE
SCHEMBL21243755 0.86 CTSS (0.73) CTSSCTSKPPARGPPARAACE
SCHEMBL29363717 0.86 CTSS (0.73) CTSSCTSKPPARGPPARAACE
SCHEMBL2153481 0.85 CTSS (0.48) CTSSCTSKPPARGPPARAITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742158-B2 Protease inhibitors TaiMed Biologies, Inc. (TW) 2014-06-03 US disclosed
US-20130158261-A1 PROTEASE INHIBITORS TAIMED BIOLOGICS, INC. (TW) 2013-06-20 US disclosed
US-8410300-B2 Protease inhibitors TAIMED BIOLOGICS, INC. (TW) 2013-04-02 US disclosed
EP-2258681-B1 Aromatic Derivatives as HIV Aspartyl Protease Inhibitors TAIMED BIOLOG INC (TW) 2012-09-26 EP disclosed
EP-2258680-A2 Aromatic derivatives as HIV aspartyl protease inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
EP-2258681-A2 Aromatic Derivatives as HIV Aspartyl Protease Inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
US-20100184974-A1 Protease Inhibitors AMBRILIA BIOPHARMA INC. (CA) 2010-07-22 US disclosed
EP-1575914-A1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Procyon Biopharma Inc. (CA) 2005-09-21 EP disclosed
WO-2004056764-A1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2004-07-08 WO disclosed
US-6632816-B1 Aromatic derivatives as HIV aspartyl protease inhibitors PHARMACOR INC. (CA) 2003-10-14 US disclosed
EP-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 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-20100184974-A1 Protease Inhibitors PREP, CTRL, CTRB1 CTSS 41/4885CTSK 150/4885PPARG 4588/4885
US-20130158261-A1 PROTEASE INHIBITORS PREP, CTRL, CTRB1 CTSS 41/4885CTSK 150/4885PPARG 4588/4885

“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.