SCHEMBL1821101

SCHEMBL1821101

C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=O)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.81
▸ MAPT P10636 4/20 0.81
▸ ABCC4 O15439 1/20 0.81
▸ CNR1 P21554 1/20 0.81
▸ CTDSP1 Q9GZU7 1/20 0.81
▸ APAF1 O14727 2/20 0.73
▸ APEX1 P27695 2/20 0.73
▸ LMNA P02545 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ PLCG1 P19174 1/20 0.73
▸ ABCC2 Q92887 1/20 0.73
▸ SIRT5 Q9NXA8 1/20 0.73
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ PSMD14 O00487 1/20 0.72
▸ MMP2 P08253 1/20 0.72
▸ HPGD P15428 1/20 0.66
▸ POLB P06746 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ DUSP3 P51452 1/20 0.55

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
SCHEMBL9483159 1.00 TDP1 (0.81) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL12809649 0.92 TDP1 (0.79) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9482736 0.91 TDP1 (0.68) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL36995 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL4114437 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL6820723 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL36996 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL16072816 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL3297328 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL5919457 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394813-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2013-03-12 — — US disclosed
EP-2316469-A1 Delivery system and methods for protecting and administering dextroamphetamine Shire LLC (US) 2011-05-04 — — EP disclosed
EP-2316468-A1 Delivery system and methods for protecting and administering dextroamphetamine Shire LLC (US) 2011-05-04 — — EP disclosed
EP-2266590-A2 Active agent delivery sytems and methods for protecting and administering active agents Shire LLC (US) 2010-12-29 — — EP disclosed
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-12-10 — — US disclosed
US-20090275552-A1 Therapy for Treating Resistant Bacterial Infections PATEL MAHESH VITHALBHAI 2009-11-05 — — US disclosed
US-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-10-08 — — US disclosed
EP-2015755-A2 IMPROVEMENTS IN THERAPY FOR TREATING RESISTANT BACTERIAL INFECTIONS Wockhardt Limited (IN) 2009-01-21 — — EP disclosed
US-7427600-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2008-09-23 — — US disclosed
EP-1663239-A4 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS SINAI MEDICAL CENTER (US) 2008-07-23 — — EP disclosed
US-20060142261-A1 Crystalline anhydrous cefdinir and crystalline cefdinir hydrates ABBOTT LABORATORIES 2006-06-29 — — US disclosed
US-20060134226-A1 Compositions useful to treat ocular neovascular diseases and macular degeneration NU-TEIN CO., LTD. 2006-06-22 — — US disclosed
US-7060708-B2 Active agent delivery systems and methods for protecting and administering active agents NEW RIVER PHARMACEUTICALS INC. (US) 2006-06-13 — — US disclosed
EP-1663239-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2006-06-07 — — EP disclosed
US-20060025399-A1 Crystalline anhydrous cefdinir and crystalline cefdinir hydrates ABBOTT LABORATORIES 2006-02-02 — — US disclosed
US-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier CEDARS-SINAI MEDICAL CENTER 2005-04-28 — — US disclosed
WO-2005025511-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2005-03-24 — — WO disclosed
EP-1490090-A2 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS New River Pharmaceuticals Inc. (US) 2004-12-29 — — EP disclosed
US-20040063628-A1 Active agent delivery systems and methods for protecting and administering active agents NEW RIVER PHARMACEUTICALS INC. 2004-04-01 — — US disclosed
WO-2003079972-A2 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PARMACEUTICALS INC. (US) 2003-10-02 — — 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 (6 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-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP TDP1 2667/4885MAPT 2824/4885ABCC4 1144/4885
US-20060134226-A1 Compositions useful to treat ocular neovascular diseases and macular degeneration CFD, VEGFA, CFH TDP1 3879/4885MAPT 1080/4885ABCC4 801/4885
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP TDP1 2667/4885MAPT 2824/4885ABCC4 1144/4885
US-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier KCNN2, KCNN1, KCNN3 TDP1 3850/4885MAPT 767/4885ABCC4 172/4885
US-20040063628-A1 Active agent delivery systems and methods for protecting and administering active agents HDGF, CTSA, IAPP TDP1 2667/4885MAPT 2824/4885ABCC4 1144/4885
US-20090275552-A1 Therapy for Treating Resistant Bacterial Infections BPGM, MGAM, IL1B TDP1 4528/4885MAPT 3048/4885ABCC4 1068/4885

“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.

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