SCHEMBL4408680

SCHEMBL4408680

CC(C)(C)OC(=O)CCC(N)(CCC(=O)O)C(C(C(=O)O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
NAALAD2 Q9Y3Q0 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
Ammonia Solution, Strong SCHEMBL28609530 0.99 MEN1 (0.31) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL21804756 0.88
SCHEMBL15486172 0.80 NAALAD2 (0.32) NAALAD2
SCHEMBL17502001 0.79
SCHEMBL25334575 0.75 ALDH1A1 (0.41) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL29392985 0.72 MEN1 (0.35) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL16317409 0.71 NAALAD2 (0.38) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL1406359 0.69 NAALAD2 (0.38) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL16334546 0.68 STING1 (0.36) ALDH1A1
SCHEMBL328633 0.68 STING1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 US disclosed
US-20160045611-A1 SUGAR-LINKER-DRUG CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 US disclosed
US-20160038615-A1 SACCHARIDE CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-11 US disclosed
EP-1450822-B1 Polyalkylene oxide conjugates of thiol-containing drugs ENZON INC (US) 2009-12-23 EP disclosed
WO-2006051506-A3 CONVENIENT SYNTHESIS OF 1 --> 3 C-BRANCHED DENDRONS UNIV AKRON (US) 2007-06-14 WO disclosed
EP-1759713-A2 Lock and key micelles UNIVERSITY OF SOUTH FLORIDA (US) 2007-03-07 EP disclosed
EP-1749516-A2 Lock and key micelles UNIVERSITY OF SOUTH FLORIDA (US) 2007-02-07 EP disclosed
EP-1007011-B1 LOCK AND KEY MICELLES UNIV SOUTH FLORIDA (US) 2006-12-27 EP disclosed
WO-2006051506-A2 CONVENIENT SYNTHESIS OF 1 --> 3 C-BRANCHED DENDRONS THE UNIVERSITY OF AKRON (US) 2006-05-18 WO disclosed
US-7033583-B2 Polymeric thiol-linked prodrugs ENZON PHARMACEUTICALS, INC. (US) 2006-04-25 US disclosed
US-6777387-B2 REACTING A BIOLOGICALLY ACTIVE DRUG CONTAINING UNPROTECTED AMINO OR HYDROXY GROUPS WITH A POLYALKYLENE GLYCOL RESIDUE CONTAINING A REACTIVE TERMINAL GROUP ENZON PHARMACEUTICALS, INC. 2004-08-17 US disclosed
US-20030147844-A1 Polymeric thiol-linked prodrugs BELROSE PHARMA INC. 2003-08-07 US disclosed
US-6566409-B1 For use in radio-imaging, drug delivery, catalysis, affinity filtration for separating enantiomers UNIVERSITY OF SOUTH FLORIDA 2003-05-20 US disclosed
WO-2003039479-A2 POLYMERIC THIOL-LINKED PRODRUGS ENZON, INC. (US) 2003-05-15 WO disclosed
US-20020015691-A1 Terminally-branched polymeric linkers containing extension moieties and polymeric conjugates containing the same BELROSE PHARMA INC. 2002-02-07 US disclosed
EP-0771190-A4 LOCK AND KEY MICELLES UNIV SOUTH FLORIDA (US) 2000-12-20 EP disclosed
US-6130209-A Lock and key micelles UNIVERSITY OF SOUTH FLORIDA (US) 2000-10-10 US disclosed
US-5650101-A Lock and key micelles UNIVERSITY OF SOUTH FLORIDA (US) 1997-07-22 US disclosed
EP-0771190-A1 LOCK AND KEY MICELLES UNIVERSITY OF SOUTH FLORIDA (US) 1997-05-07 EP disclosed
WO-1996003114-A1 LOCK AND KEY MICELLES UNIVERSITY OF SOUTH FLORIDA (US) 1996-02-08 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 (4 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-20160045611-A1 SUGAR-LINKER-DRUG CONJUGATES FUT5, FUT6, B3GNT2 MEN1 3709/4885ALDH1A1 37/4885CYP1A2 1019/4885
US-20020015691-A1 Terminally-branched polymeric linkers containing extension moieties and polymeric conjugates containing the same ITGB3, ITGB4, DRD3 MEN1 3552/4885ALDH1A1 1014/4885CYP1A2 1943/4885
US-20160038615-A1 SACCHARIDE CONJUGATES BLM, DCLRE1A, MAN1B1 MEN1 110/4885ALDH1A1 3629/4885CYP1A2 4776/4885
US-20030147844-A1 Polymeric thiol-linked prodrugs MPST, TST, SHMT1 MEN1 3800/4885ALDH1A1 171/4885CYP1A2 378/4885

“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.