SCHEMBL3547707

SCHEMBL3547707

CCCCCCCCCCCCCCCCCCNC(=O)c1csc(-c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.61
HPGD P15428 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HDAC1 Q13547 4/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC8 Q9BY41 1/20 0.59
ACKR3 P25106 2/20 0.57
TDP1 Q9NUW8 2/20 0.56
HDAC3 O15379 3/20 0.56
NAAA Q02083 1/20 0.55
TLR7 Q9NYK1 1/20 0.53
MAPT P10636 2/20 0.52
ATM Q13315 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52

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
SCHEMBL20170935 1.00 HPGDS (0.61) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL3436271 0.90 HPGD (0.66) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL12789158 0.84 HPGD (0.69) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL7364347 0.84 HDAC1 (0.58) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL27965799 0.82 HDAC1 (0.65) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL27965984 0.82 RAB9A (0.66) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL27965978 0.82 RAB9A (0.61) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL2101661 0.82 HDAC3 (0.51) HPGDSHPGDHDAC1HDAC6HDAC8
SCHEMBL27966332 0.82 HPGD (0.66) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL27966030 0.81 HPGDS (0.49) HPGDSHPGDCYP1A2CYP3A4CYP2C9

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 22 patents — showing the first 20. 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
CN-1902184-A Thiazolidinone amides, thiazolidine carboxylic acid amides, methods of making, and uses thereof UNIV TENNESSEE RES FOUNDATION (US) 2007-01-24 CN 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
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
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
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
CN-1902184-A Thiazolidinone amides, thiazolidine carboxylic acid amides, methods of making, and uses thereof UNIV TENNESSEE RES FOUNDATION (US) 2007-01-24 CN 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 HPGDS 510/4885HPGD 371/4885CYP1A2 362/4885
US-20060014740-A1 Analogs exhibiting inhibition of cell proliferation, methods of making, and uses thereof MKI67, MCL1, API5 HPGDS 58/4885HPGD 242/4885CYP1A2 2917/4885
US-20060040998-A1 Thiazolidinone amides, thiazolidine carboxylic acid amides, methods of making, and uses thereof NAT1, AADAC, PPARG HPGDS 510/4885HPGD 371/4885CYP1A2 362/4885
US-20080255213-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS SRM, SAT1, SMS HPGDS 606/4885HPGD 1254/4885CYP1A2 3912/4885
US-20070155807-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS SRM, SAT1, SMS HPGDS 540/4885HPGD 969/4885CYP1A2 3066/4885

“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.