SCHEMBL551390

SCHEMBL551390

O=C(CCSSc1ccccn1)OC(=O)CC/C(=N/O)OC(=O)CCSSc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 8/20 0.36
HDAC2 Q92769 8/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL579460 0.90 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTEHMT2EHMT1
SCHEMBL2743794 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTLMNARAB9A
SCHEMBL17139516 0.84 ALDH1A1 (0.33) ALDH1A1KMT2AMAPTEHMT2EHMT1
SCHEMBL110223 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTEHMT2EHMT1
SCHEMBL20601972 0.80 HDAC1 (0.36) ALDH1A1KMT2AMAPTEHMT2EHMT1
SCHEMBL18022125 0.79 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTEHMT2EHMT1
SCHEMBL23512422 0.78 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTEHMT2EHMT1
SCHEMBL10581045 0.77 LMNA (0.53) ALDH1A1KMT2AMAPTEHMT2EHMT1
SCHEMBL906682 0.76 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTEHMT2EHMT1
SCHEMBL18805587 0.76 LMNA (0.62) ALDH1A1KMT2AMAPTEHMT2EHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178793-A1 NUCLEOTIDE-COCHLEATE COMPOSITIONS AND METHODS OF USE BIODELIVERY SCIENCES INTERNATIONAL, INC. (US) 2012-07-12 US claimed
US-5000960-A Using bifunctional agent to form disulfide bond MICRO-PAK, INC. (US) 1991-03-19 US claimed
US-20120178793-A1 NUCLEOTIDE-COCHLEATE COMPOSITIONS AND METHODS OF USE BIODELIVERY SCIENCES INTERNATIONAL, INC. (US) 2012-07-12 US disclosed
US-8110217-B2 Sphingomyelin liposomes for the treatment of hyperactive bladder disorders UNIVERSITY OF PITTSBURGH (US) 2012-02-07 US disclosed
US-20110269942-A1 ANTIBODIES MODIFIED WITH HYDROPHOBIC MOLECULE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20100209490-A1 IMMUNOLIPOSOME INDUCING APOPTOSIS INTO CELL EXPRESSING DEATH DOMAIN-CONTAINING RECEPTOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2184355-A1 ANTIBODY MODIFIED WITH HYDROPHOBIC MOLECULE Daiichi Sankyo Company, Limited (JP) 2010-05-12 EP disclosed
EP-2177230-A1 IMMUNOLIPOSOME INDUCING APOPTOSIS INTO CELL EXPRESSING DEATH DOMAIN-CONTAINING RECEPTOR Daiichi Sankyo Company, Limited (JP) 2010-04-21 EP disclosed
US-20070122466-A1 Sphingomyelin liposomes for the treatment of hyperactive bladder disorders UNIVERSITY OF PITTSBURGH (US) 2007-05-31 US disclosed
US-20060029656-A1 Replacement enzyme cochleates BIODELIVERY SCIENCES INTERNATIONAL, INC. (US) 2006-02-09 US disclosed
US-20050220886-A1 Modulators of the Notch signalling pathway and uses thereof in medical treatment CELLDEX THERAPEUTICS LIMITED (GB) 2005-10-06 US disclosed
US-5623055-A Phenylboronic acid complexes derived from aminosalicylic acid for bioconjugate preparation PROLINX, INC. (US) 1997-04-22 US disclosed
US-5594111-A Phenylboronic acid complexes for bioconjugate preparation PROLINX, INC. (US) 1997-01-14 US disclosed
EP-0741734-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1996-11-13 EP disclosed
US-5474765-A Drug delivery; heparin/steroid conjugates; selectively hydrolyzable linkage e.g, an acid labile or enzyme-sensitive bond; angiogenesis inhibitors; anticarcinogenic,-arthritic and diabetic agents UT SW MEDICAL CTR AT DALLAS (US) 1995-12-12 US disclosed
EP-0683397-A1 REAGENT FOR IMMUNOAGGLUTINATION AND IMMUNOANALYTICAL METHOD NISSUI PHARMACEUTICAL CO., LTD. (JP) 1995-11-22 EP disclosed
WO-1995020591-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1995-08-03 WO disclosed
EP-0632728-A1 PREPARATION AND USE OF POLYANIONIC POLYMER-BASED CONJUGATES TARGETED TO VASCULAR ENDOTHELIAL CELLS THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-01-11 EP disclosed
WO-1993018793-A1 PREPARATION AND USE OF POLYANIONIC POLYMER-BASED CONJUGATES TARGETED TO VASCULAR ENDOTHELIAL CELLS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-09-30 WO disclosed
US-4948590-A Avidin or streptavidin conjugated liposomes YALE UNIVERSITY (US) 1990-08-14 US 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 (1 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-20120178793-A1 NUCLEOTIDE-COCHLEATE COMPOSITIONS AND METHODS OF USE NUDT1, NT5E, SLC29A1 ALDH1A1 3241/4885KMT2A 2755/4885MAPT 4259/4885

“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.