SCHEMBL5363728

SCHEMBL5363728

CN1CCN(NS(=O)(=O)Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
RECQL P46063 1/20 0.35
CA1 P00915 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
LIPE Q05469 1/20 0.32
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
Hydrochloric Acid SCHEMBL7812621 0.98 ALDH1A1 (0.45) TDP1ALDH1A1MAPTCACNA1BAPBA1
SCHEMBL12052674 0.78 TDP1 (0.46) TDP1ALDH1A1MAPTCACNA1BAPBA1
SCHEMBL3056761 0.77
SCHEMBL7290030 0.77 CA1 (0.32) TDP1ALDH1A1CA2CA1KMT2A
SCHEMBL27742859 0.76 TDP1 (0.44) TDP1ALDH1A1MAPTCACNA1BAPBA1
SCHEMBL5224904 0.75 CA1 (0.36) TDP1ALDH1A1MAPTCA2CA1
SCHEMBL6335937 0.75 CA1 (0.36) TDP1ALDH1A1MAPTCA2CA1
SCHEMBL6340895 0.73 LMNA (0.37) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL6333240 0.71 KDM4E (0.37) ALDH1A1MAPTLMNAHTT
SCHEMBL3128017 0.71 PHGDH (0.50) ALDH1A1MAPTCA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077214-A1 An improved process for preparing a pyrazolopyrimidinone derivative Orchid Chemicals & Pharmaceuticals Ltd. (IN) 2001-02-21 EP claimed
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
US-6939867-B2 Phenyl sulfamide derivatives as dietetics, antidiabetics, and hypotensive agents PFIZER INC. (US) 2005-09-06 US disclosed
EP-1462443-A1 Sulfonylalkanoylamino hydroxyethylamino sulfamic acids useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-09-29 EP disclosed
US-20020128247-A1 Beta3 agonists and uses thereof DOW ROBERT L (US) 2002-09-12 US disclosed
EP-1236723-A1 Sulfamide derivatives useful as beta3 agonists and pharmaceutical uses thereof Pfizer Products Inc. (US) 2002-09-04 EP disclosed
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 EP disclosed
EP-1077214-A1 An improved process for preparing a pyrazolopyrimidinone derivative Orchid Chemicals & Pharmaceuticals Ltd. (IN) 2001-02-21 EP disclosed
EP-0797576-A1 ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1997-10-01 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
EP-0788498-A1 PHENYLOXAZOLIDINONE ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1997-08-13 EP disclosed
US-5602119-A TREATMENT OF HIV AND AIDS G. D. SEARLE & CO. 1997-02-11 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
WO-1996018628-A1 ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1996-06-20 WO disclosed
WO-1994010136-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFAMIC ACIDS USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-05-11 WO disclosed
WO-1994010133-A1 SUCCINOYLAMINO HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-05-11 WO disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 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-20050267214-A1 Alpha-and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors ASPH, DNPEP, PEPD TDP1 1926/4885ALDH1A1 924/4885MAPT 2973/4885
US-20020128247-A1 Beta3 agonists and uses thereof ADRB3, ADRB1, ADRB2 TDP1 3582/4885ALDH1A1 764/4885MAPT 4302/4885

“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.