SCHEMBL3555702

SCHEMBL3555702

CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccccc2)N1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.59
ALDH1A1 P00352 6/20 0.50
PRCP P42785 2/20 0.49
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
NAAA Q02083 1/20 0.47
EPHX1 P07099 3/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5392579 1.00 S1PR3 (0.59) S1PR3ALDH1A1PRCPKDM4EMAPT
SCHEMBL29776727 1.00 S1PR3 (0.59) S1PR3ALDH1A1PRCPKDM4EMAPT
SCHEMBL4573899 1.00 S1PR3 (0.59) S1PR3ALDH1A1PRCPKDM4EMAPT
SCHEMBL4421784 1.00 S1PR3 (0.59) S1PR3ALDH1A1PRCPKDM4EMAPT
SCHEMBL3557711 1.00 S1PR3 (0.59) S1PR3ALDH1A1PRCPKDM4EMAPT
SCHEMBL4573866 1.00 S1PR3 (0.59) S1PR3ALDH1A1PRCPKDM4EMAPT
SCHEMBL4751119 1.00 S1PR3 (0.59) S1PR3ALDH1A1PRCPKDM4EMAPT
SCHEMBL3553011 1.00 S1PR3 (0.59) S1PR3ALDH1A1PRCPKDM4EMAPT
SCHEMBL3553095 1.00 S1PR3 (0.59) S1PR3ALDH1A1PRCPKDM4EMAPT
Hydrochloric Acid SCHEMBL4574538 0.99 S1PR3 (0.58) S1PR3ALDH1A1PRCPKDM4EMAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307093-B2 Cancer, selectivity to prostate cancer cell lines, ovarian cancer cells THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-12-11 US claimed
EP-1692121-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, METHODS OF MAKING, AND USES THEREOF University of Tennessee Research Foundation (US) 2006-08-23 EP claimed
US-20060040998-A1 Thiazolidinone amides, thiazolidine carboxylic acid amides, methods of making, and uses thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-23 US claimed
WO-2005049591-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, METHODS OF MAKING, AND USES THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-06-02 WO claimed
US-7662842-B2 Thiazolidinone amides, thiazolidine carboxylic acid amides, and serine amides, including polyamine conjugates thereof, as selective anti-cancer agents Ohio State Univesity Research Foundation (US) 2010-02-16 US disclosed
US-20090143446-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, METHODS OF MAKING, AND USES THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-06-04 US disclosed
WO-2008128179-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-10-23 WO disclosed
US-20080255213-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-10-16 US disclosed
EP-1926487-A2 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS University of Tennessee Research Foundation (US) 2008-06-04 EP disclosed
WO-2008036067-A2 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-03-27 WO disclosed
US-7307093-B2 Cancer, selectivity to prostate cancer cell lines, ovarian cancer cells THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-12-11 US disclosed
US-20070155807-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-07-05 US disclosed
EP-1723127-A2 ANALOGS EXHIBITING INHIBITION OF CELL PROLIFERATION, METHODS OF MAKING, AND USES THEREOF THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-11-22 EP disclosed
EP-1692121-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, METHODS OF MAKING, AND USES THEREOF University of Tennessee Research Foundation (US) 2006-08-23 EP disclosed
US-20060040998-A1 Thiazolidinone amides, thiazolidine carboxylic acid amides, methods of making, and uses thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-23 US disclosed
US-20060014740-A1 Analogs exhibiting inhibition of cell proliferation, methods of making, and uses thereof US GOVERNMENT - SECRETARY FOR THE ARMY 2006-01-19 US disclosed
WO-2005086638-A2 ANALOGS EXHIBITING INHIBITION OF CELL PROLIFERATION, METHODS OF MAKING, AND USES THEREOF THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-09-22 WO disclosed
WO-2005049591-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, METHODS OF MAKING, AND USES THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-06-02 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 (5 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-20090143446-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, METHODS OF MAKING, AND USES THEREOF NAT1, AADAC, PPARG S1PR3 3957/4885ALDH1A1 23/4885PRCP 2135/4885
US-20060014740-A1 Analogs exhibiting inhibition of cell proliferation, methods of making, and uses thereof MKI67, MCL1, API5 S1PR3 2345/4885ALDH1A1 337/4885PRCP 1389/4885
US-20060040998-A1 Thiazolidinone amides, thiazolidine carboxylic acid amides, methods of making, and uses thereof NAT1, AADAC, PPARG S1PR3 3957/4885ALDH1A1 23/4885PRCP 2135/4885
US-20080255213-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS SRM, SAT1, SMS S1PR3 679/4885ALDH1A1 185/4885PRCP 1865/4885
US-20070155807-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS SRM, SAT1, SMS S1PR3 692/4885ALDH1A1 84/4885PRCP 1550/4885

“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.