SCHEMBL379046

SCHEMBL379046

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL595358 0.82 LTA4H (0.41) LTA4HNOS1NOS3NOS2
SCHEMBL3800697 0.81 LTA4H (0.33) LTA4HNOS1NOS3NOS2
SCHEMBL379045 0.75 MAOA (0.42)
SCHEMBL18237306 0.71 LTA4H (0.39) LTA4H
SCHEMBL30097254 0.71 LTA4H (0.39) LTA4H
SCHEMBL594919 0.70 KMT2A (0.50) LTA4HNOS1NOS3NOS2
SCHEMBL283586 0.70 KMT2A (0.50) LTA4HNOS1NOS3NOS2
SCHEMBL1261014 0.70 KMT2A (0.50) LTA4HNOS1NOS3NOS2
SCHEMBL26891494 0.69 LTA4H (0.45) LTA4HNOS1NOS3NOS2
Hydrochloric Acid SCHEMBL2282696 0.68 PMP22 (0.48) LTA4HNOS1NOS3NOS2

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 11 patents. 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
EP-2598522-A2 RECOMBINANT LECTINS, BINDING-SITE MODIFIED LECTINS AND USES THEREOF Smartcells, Inc. (US) 2013-06-05 EP disclosed
WO-2012015691-A2 RECOMBINANT LECTINS, BINDING-SITE MODIFIED LECTINS AND USES THEREOF SMARTCELLS, INC. (US) 2012-02-02 WO disclosed
EP-2408470-A1 Soluble non-depot insulin conjugates and uses thereof Smartcells, Inc. (US) 2012-01-25 EP disclosed
EP-2391215-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF Smartcells, Inc. (US) 2011-12-07 EP 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 (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-10398781-B2 Conjugate based systems for controlled drug delivery SI, CSGALNACT1, CD44 LTA4H 2400/4885NOS1 4237/4885NOS3 4530/4885
US-20180064824-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 LTA4H 2400/4885NOS1 4237/4885NOS3 4530/4885

“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.