SCHEMBL5344617

SCHEMBL5344617

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA2B P29275 1/20 0.59
ADORA1 P30542 1/20 0.59
PSMB1 P20618 1/20 0.56
CTSL P07711 5/20 0.53
MME P08473 1/20 0.51
ECE1 P42892 1/20 0.51
TACR1 P25103 2/20 0.50
REN P00797 1/20 0.50
CTSB P07858 3/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
PSMB8 P28062 1/20 0.48
PSMB5 P28074 1/20 0.48

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
SCHEMBL7270223 0.90 PSMB1 (0.59) ADORA3ADORA2AADORA2BADORA1PSMB1
SCHEMBL7384058 0.88 PSMB1 (0.60) ADORA3ADORA2AADORA2BADORA1PSMB1
SCHEMBL7417704 0.88 PSMB1 (0.60) ADORA3ADORA2AADORA2BADORA1PSMB1
SCHEMBL27327218 0.86 PSMB1 (0.56) ADORA3ADORA2AADORA2BADORA1PSMB1
SCHEMBL7420596 0.86 PSMB1 (0.61) ADORA3ADORA2AADORA2BADORA1PSMB1
SCHEMBL7279478 0.86 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1PSMB1
SCHEMBL7418250 0.86 PSMB1 (0.61) ADORA3ADORA2AADORA2BADORA1PSMB1
SCHEMBL7412449 0.86 PSMB1 (0.61) ADORA3ADORA2AADORA2BADORA1PSMB1
SCHEMBL7320613 0.86 TRPM8 (0.58) CTSLTACR1CTSBCTSSCTSK
SCHEMBL5889247 0.86 TRPM8 (0.58) CTSLTACR1CTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202258-B2 α- and β-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-10 US disclosed
US-7037941-B2 Alpha-and Beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-05-02 US disclosed
US-20050267214-A1 Alpha-and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-01 US disclosed
EP-0813868-B1 Retroviral protease inhibitors MONSANTO CO (US) 2005-06-01 EP disclosed
US-20030158236-A1 Alpha-and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-08-21 US disclosed
US-6444678-B1 α- and β-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. 2002-09-03 US disclosed
US-6156768-A Alpha- and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-12-05 US disclosed
EP-0731088-B1 Retroviral protease inhibitors MONSANTO CO (US) 2000-10-04 EP disclosed
EP-0558603-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1998-08-26 EP disclosed
EP-0666842-B1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-06-24 EP disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 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 (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-20030158236-A1 Alpha-and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors ASPH, DNPEP, PEPD ADORA3 3659/4885ADORA2A 3988/4885ADORA2B 3497/4885
US-20050267214-A1 Alpha-and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors ASPH, DNPEP, PEPD ADORA3 3513/4885ADORA2A 3874/4885ADORA2B 3320/4885

“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.