SCHEMBL4890797

SCHEMBL4890797

CC(C)(C)OC(=O)[N@@+]1(C(=O)O)CC[C@@H]2CCCC[C@@H]2C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7423912 1.00 BTK (0.31) BTKGPR119GAA
SCHEMBL6488743 0.91 BTK (0.33) BTKGPR119GAA
SCHEMBL5152679 0.80
SCHEMBL14122608 0.80 CHRM2 (0.39)
SCHEMBL14122626 0.75 CHRM3 (0.34) BTK
SCHEMBL4904084 0.75
SCHEMBL2434403 0.75 BTK (0.31) BTK
SCHEMBL6320796 0.75 BTK (0.31) BTK
SCHEMBL14122785 0.74 CTSK (0.35) GPR119
SCHEMBL4011681 0.73 HPGD (0.30) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-20070015818-A1 Cyclic sulfone containing retroviral protease inhibitors G.D. Searle & Co. (now G.D. Searle, LLC) (US) 2007-01-18 US disclosed
US-7112683-B2 Cyclic sulfone containing retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-26 US disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-7026333-B1 Retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20060040974-A1 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-02-23 US disclosed
US-20050119257-A1 cyclic thiophene or thiopyran sulfone- and either urea- or N-heterocyclic moiety-containing hydroxyethylamine; mimetic compound binds to the enzyme; HIV virus G.D. SEARLE & CO. (US) 2005-06-02 US disclosed
US-6875790-B2 Cyclic sulfone containing retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-04-05 US disclosed
US-5849784-A Cyclic sulfone containing retroviral protease inhibitors GD SEARLE & CO. (US) 1998-12-15 US disclosed
US-5756534-A Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-05-26 US disclosed
US-5648364-A HETEROCYCLIC PEPTIDE COMPOUNDS AS ENZYME INHIBITORS MONSANTO COMPANY (US) 1997-07-15 US disclosed
US-5643924-A Retroviral protease inhibitors MONSANTO COMPANY OF ST. LOUIS (US) 1997-07-01 US disclosed
EP-0677048-B1 CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1997-01-22 EP disclosed
US-5514801-A TREATMENT OF AIDS MONSANTO COMPANY (US) 1996-05-07 US disclosed
EP-0677048-A1 CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-10-18 EP disclosed
EP-0641325-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1995-03-08 EP disclosed
WO-1994014793-A1 CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS G. D. SEARLE & CO. (US) 1994-07-07 WO disclosed
WO-1993023379-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-11-25 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 (5 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 BTK 3841/4885GPR119 4367/4885GAA 126/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP BTK 4319/4885GPR119 3803/4885GAA 220/4885
US-20050119257-A1 cyclic thiophene or thiopyran sulfone- and either urea- or N-heterocyclic moiety-containing hydroxyethylamine; mimetic compound binds to the enzyme; HIV virus DNPEP, ANPEP, SPR BTK 2764/4885GPR119 3436/4885GAA 742/4885
US-20070015818-A1 Cyclic sulfone containing retroviral protease inhibitors TMPRSS15, TMPRSS11D, MME BTK 2561/4885GPR119 3731/4885GAA 435/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 BTK 4387/4885GPR119 3764/4885GAA 154/4885

“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.