SCHEMBL528808

SCHEMBL528808

CN(C)[n+]1ccccc1.Cc1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 3/20 0.33
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR6 P50406 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.33
ESR2 Q92731 1/20 0.33
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL6454098 0.81 SLC22A2 (0.36) KMT2AKDM4EALDH1A1HSD11B1MEN1
Toluene SCHEMBL4224326 0.80 CA12 (0.43) MAPTKDM4ECA12CA9CA2
SCHEMBL5745107 0.80 CA12 (0.37) MAPTKMT2AKDM4ECA12CA9
SCHEMBL57931 0.78 TDP1 (0.45) MAPTKMT2AKDM4ECA12CA9
SCHEMBL6915057 0.78 HSD11B1 (0.42) HTR2AHTR2CMAPTKMT2AKDM4E
SCHEMBL5399285 0.78 HSD11B1 (0.42) HTR2AHTR2CMAPTKMT2AKDM4E
SCHEMBL135009 0.78 HSD11B1 (0.42) HTR2AHTR2CMAPTKMT2AKDM4E
SCHEMBL20533883 0.78 HSD11B1 (0.42) HTR2AHTR2CMAPTKMT2AKDM4E
SCHEMBL20658918 0.78 HSD11B1 (0.42) HTR2AHTR2CMAPTKMT2AKDM4E
SCHEMBL16034284 0.78 TDP1 (0.45) MAPTKMT2AKDM4ECA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598552-A1 FUNCTIONAL BIODEGRADABLE POLYMERS University Of Akron (US) 2013-06-05 EP claimed
WO-2012015481-A1 FUNCTIONAL BIODEGRADABLE POLYMERS UNIVERSITY OF AKRON (US) 2012-02-02 WO claimed
US-10023689-B2 Functional biodegradable polymers THE UNIVERSITY OF AKRON 2018-07-17 US disclosed
US-20160229952-A1 FUNCTIONAL BIODEGRADABLE POLYMERS NATIONAL SCIENCE FOUNDATION 2016-08-11 US disclosed
US-20130184429-A1 FUNCTIONAL BIODEGRADABLE POLYMERS THE UNIVERSITY OF AKRON (US) 2013-07-18 US disclosed
EP-2598552-A1 FUNCTIONAL BIODEGRADABLE POLYMERS University Of Akron (US) 2013-06-05 EP disclosed
WO-2012015481-A1 FUNCTIONAL BIODEGRADABLE POLYMERS UNIVERSITY OF AKRON (US) 2012-02-02 WO disclosed
WO-2006023130-A2 BIODEGRADABLE CONTROLLED RELEASE BIOACTIVE AGENT DELIVERY DEVICE SURMODICS, INC. (US) 2006-03-02 WO disclosed
US-20060034891-A1 Biodegradable controlled release bioactive agent delivery device SURMODICS MD, LLC 2006-02-16 US disclosed
WO-2004039335-A2 POLYMER COMPOSITIONS COMPRISING ANTIFIBROTIC AGENTS, AND METHODS OF TREATMENT, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARATION THEREFOR UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2004-05-13 WO disclosed
US-20030186869-A1 Polymer compositions comprising antifibrotic agents, and methods of treatment, pharmaceutical compositions, and methods of preparation therefor POIANI GEORGE (US) 2003-10-02 US disclosed
EP-0931119-B1 CHIRAL COMPOUNDS WITH LIQUID CRYSTALLINE NATURE AND FERROELECTRIC LIQUID CRYSTAL DEVICE ADOPTING THE SAME SAMSUNG DISPLAY DEVICES CO LTD (KR) 2001-12-05 EP disclosed
EP-0931119-A1 CHIRAL COMPOUNDS WITH LIQUID CRYSTALLINE NATURE AND FERROELECTRIC LIQUID CRYSTAL DEVICE ADOPTING THE SAME SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1999-07-28 EP disclosed
WO-1998014529-A1 CHIRAL COMPOUNDS WITH LIQUID CRYSTALLINE NATURE AND FERROELECTRIC LIQUID CRYSTAL DEVICE ADOPTING THE SAME SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1998-04-09 WO disclosed
US-5720950-A ALKOXYLATED PROLINE ANALOG UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY (US) 1998-02-24 US disclosed
US-5660822-A A PROLINE ANALOG LINKED TO A POLYOXYALKYLENE ETHER THROUGH A SPACER COMPOUND SUCH AS LYSINE; CONTROLLING THE PROLIFERATION OF COLLAGEN; TIME-RELEASE AGENTS; NONTOXIC UNIVERSITY OF MEDICINE & DENTISTRY OF N.J. (US) 1997-08-26 US disclosed
US-5455027-A Drug delivery ENZON, INC. (US) 1995-10-03 US disclosed
US-5372807-A Proline analogs administered to inhibit collagen accumulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 1994-12-13 US disclosed
US-5219564-A Containing pendant carboxylic acid groups ENZON, INC. (US) 1993-06-15 US disclosed
WO-1992000748-A1 POLY(ALKYLENE OXIDE) AMINO ACID COPOLYMERS AND DRUG CARRIERS AND CHARGED COPOLYMERS BASED THEREON ENZON, INC. (US) 1992-01-23 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 (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-20030186869-A1 Polymer compositions comprising antifibrotic agents, and methods of treatment, pharmaceutical compositions, and methods of preparation therefor PDF, DHPS, FIBP HTR2A 4471/4885HTR2C 4212/4885MAPT 3218/4885

“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.