SCHEMBL2780274

SCHEMBL2780274

COC(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.60
ACE P12821 3/20 0.60
CPA1 P15085 3/20 0.60
ACE2 Q9BYF1 3/20 0.60
KMT2A Q03164 1/20 0.59
ITGA4 P13612 9/20 0.46
ITGB1 P05556 7/20 0.46
ITGB7 P26010 6/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2781125 1.00 MME (0.60) MMEACECPA1ACE2KMT2A
SCHEMBL2781114 0.92 MME (0.56) MMEACECPA1ACE2KMT2A
SCHEMBL2778799 0.92 MME (0.56) MMEACECPA1ACE2KMT2A
SCHEMBL2779649 0.87 MME (0.48) MMEACECPA1ACE2KMT2A
SCHEMBL503474 0.86 ACE (0.57) MMEACECPA1ACE2KMT2A
SCHEMBL6170513 0.86 ACE (0.57) MMEACECPA1ACE2KMT2A
SCHEMBL11148829 0.85 MME (0.57) MMEACECPA1ACE2KMT2A
SCHEMBL11148836 0.82 MME (0.54) MMEACECPA1ACE2KMT2A
SCHEMBL3007767 0.82 PPARG (0.48) MMEACECPA1ACE2ITGA4
SCHEMBL16267725 0.82 CTSS (0.55) MMEACECPA1ACE2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3113780-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-08-14 EP disclosed
EP-2632895-B1 HIV PROTEASE INHIBITORS MERCK CANADA INC (CA) 2018-10-03 EP disclosed
US-9994587-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-9834526-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-9737545-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20170217986-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
US-20160311786-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-27 US disclosed
EP-2895482-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP disclosed
US-20160296527-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 US disclosed
EP-2771332-B1 Thiophen and thiazol sulfonamid derivatives as HIV protease inhibitors for the treatment of AIDS MERCK CANADA INC (CA) 2016-06-29 EP 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
EP-2203420-A1 HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-07-07 EP disclosed
US-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
WO-2009042094-A2 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 WO disclosed
WO-2009042093-A1 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100093811-A1 HIV PROTEASE INHIBITORS PRSS1, FURIN, SERPINB1 MME 259/4885ACE 76/4885CPA1 66/4885
US-20160296527-A1 HIV PROTEASE INHIBITORS PREP, PRSS1, PEPD MME 24/4885ACE 16/4885CPA1 181/4885
US-20160311786-A1 HIV PROTEASE INHIBITORS PREP, PRSS1, CTSV MME 33/4885ACE 15/4885CPA1 221/4885
US-20170217986-A1 HIV PROTEASE INHIBITORS CTSV, PRSS1, PREP MME 77/4885ACE 34/4885CPA1 111/4885

“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.