Sugi Predict

Sugi Predict / Compounds / SCHEMBL379045

SCHEMBL379045

SCHEMBL379045

C#CCOCC(N)(COCC#C)COCC#C.CC(C)(C)OC(=O)NCCCC(N)=S

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA1 P00915 10/20 0.41
▸ CA2 P00918 10/20 0.41
▸ CA12 O43570 6/20 0.41
▸ CA9 Q16790 6/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ STK17B O94768 1/20 0.31
▸ STK17A Q9UEE5 1/20 0.31
▸ CAPN1 P07384 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
SCHEMBL18764723 0.82 MAOA (0.58) MAOAMAOBTDP1CA1CA2
SCHEMBL21815668 0.78 MAOA (0.60) MAOAMAOBTDP1CA1CA2
SCHEMBL612228 0.76 TDP1 (0.53) MAOAMAOBTDP1CA1CA2
SCHEMBL379046 0.75 LTA4H (0.33) —
SCHEMBL21070553 0.75 TDP1 (0.47) MAOAMAOBTDP1CA1CA2
SCHEMBL23871897 0.74 TDP1 (0.55) MAOAMAOBTDP1CA1CA2
SCHEMBL12108565 0.74 TDP1 (0.54) MAOAMAOBTDP1CA1CA2
SCHEMBL16421680 0.74 TDP1 (0.46) MAOAMAOBTDP1CA1CA2
SCHEMBL1788759 0.73 MAOA (0.53) MAOAMAOBTDP1CA1CA2
SCHEMBL21070764 0.73 TDP1 (0.58) MAOAMAOBTDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391218-B1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS INC (US) 2020-03-18 — — EP disclosed
US-10398781-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2019-09-03 — — US disclosed
US-20180064824-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY MERCK SHARP & DOHME CORP. (US) 2018-03-08 — — US disclosed
US-9745355-B2 Binding-site modified lectins and uses thereof SMARTCELLS, INC. (US) 2017-08-29 — — US disclosed
US-9579391-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2017-02-28 — — US disclosed
US-20160193351-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2016-07-07 — — US disclosed
US-9265838-B2 Conjugate based systems for controlled drug delivery SMART CELLS, INC. (US) 2016-02-23 — — US disclosed
US-20150265717-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2015-09-24 — — US disclosed
US-9068013-B2 Recombinant lectins, binding-site modified lectins and uses thereof SMART CELLS, INC. (US) 2015-06-30 — — US disclosed
US-9050370-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2015-06-09 — — US disclosed
EP-2408470-A1 Soluble non-depot insulin conjugates and uses thereof Smartcells, Inc. (US) 2012-01-25 — — EP disclosed
US-20120010134-A1 SOLUBLE NON-DEPOT INSULIN CONJUGATES AND USES THEREOF SMARTCELLS, INC. 2012-01-12 — — US disclosed
US-20110301083-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. 2011-12-08 — — US disclosed
EP-2391215-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF Smartcells, Inc. (US) 2011-12-07 — — EP disclosed
US-20110281792-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF SMARTCELLS, INC. 2011-11-17 — — US disclosed
US-20110275560-A1 SYNTHETIC CONJUGATES AND USES THEREOF SMARTCELLS, INC. 2011-11-10 — — US disclosed
WO-2010107520-A1 SOLUBLE NON-DEPOT INSULIN CONJUGATES AND USES THEREOF SMARTCELLS, INC. (US) 2010-09-23 — — WO disclosed
WO-2010088286-A1 SYNTHETIC CONJUGATES AND USES THEREOF SMARTCELLS, INC. (US) 2010-08-05 — — WO disclosed
WO-2010088261-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF SMARTCELLS, INC. (US) 2010-08-05 — — WO disclosed
WO-2010088294-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2010-08-05 — — 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 (8 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-20110275560-A1 SYNTHETIC CONJUGATES AND USES THEREOF SLC2A4, SLC2A8, CD44 MAOA 2806/4885MAOB 3191/4885TDP1 2864/4885
US-10398781-B2 Conjugate based systems for controlled drug delivery SI, CSGALNACT1, CD44 MAOA 1778/4885MAOB 1722/4885TDP1 3303/4885
US-20120010134-A1 SOLUBLE NON-DEPOT INSULIN CONJUGATES AND USES THEREOF GPR119, IAPP, IRS1 MAOA 3021/4885MAOB 3126/4885TDP1 4547/4885
US-20110301083-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 MAOA 1778/4885MAOB 1722/4885TDP1 3303/4885
US-20110281792-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF SIGLEC7, SIGLEC9, LGALS3BP MAOA 2085/4885MAOB 1893/4885TDP1 2800/4885
US-20180064824-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 MAOA 1778/4885MAOB 1722/4885TDP1 3303/4885
US-20160193351-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 MAOA 1778/4885MAOB 1722/4885TDP1 3303/4885
US-20150265717-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 MAOA 1778/4885MAOB 1722/4885TDP1 3303/4885

“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.