SCHEMBL379087

SCHEMBL379087

C#CCOCC(N)(COCC#C)COCC#C.NC(=O)CBr

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL17268908 0.82 TSHR (0.32) TSHR
Hydrochloric Acid SCHEMBL17256300 0.80 TSHR (0.31) TSHR
Trifluoroacetic Acid SCHEMBL17256263 0.78 TSHR (0.39) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL17934072 0.74 MEN1 (0.39) TSHR
SCHEMBL25763454 0.74 POLB (0.41) TSHR
SCHEMBL28887202 0.69 TSHR (0.37) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL9617040 0.69
SCHEMBL25764174 0.67 SPHK2 (0.35)
SCHEMBL352570 0.66
SCHEMBL3224210 0.65

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 TSHR 1593/4885SLC1A3 984/4885SLC1A2 1034/4885
US-10398781-B2 Conjugate based systems for controlled drug delivery SI, CSGALNACT1, CD44 TSHR 1468/4885SLC1A3 474/4885SLC1A2 621/4885
US-20120010134-A1 SOLUBLE NON-DEPOT INSULIN CONJUGATES AND USES THEREOF GPR119, IAPP, IRS1 TSHR 292/4885SLC1A3 1393/4885SLC1A2 2145/4885
US-20110301083-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 TSHR 1468/4885SLC1A3 474/4885SLC1A2 621/4885
US-20110281792-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF SIGLEC7, SIGLEC9, LGALS3BP TSHR 2087/4885SLC1A3 1906/4885SLC1A2 2146/4885
US-20180064824-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 TSHR 1468/4885SLC1A3 474/4885SLC1A2 621/4885
US-20160193351-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 TSHR 1468/4885SLC1A3 474/4885SLC1A2 621/4885
US-20150265717-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 TSHR 1468/4885SLC1A3 474/4885SLC1A2 621/4885

“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.