SCHEMBL3549397

SCHEMBL3549397

O=C(CN1C(=O)CSC1c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.47
AKR1B1 P15121 1/20 0.46
CACNA1B Q00975 1/20 0.46
LMNA P02545 2/20 0.43
P2RX1 P51575 1/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3549735 0.86 MEN1 (0.45) LMNAPOLBMEN1KMT2ACYP2C9
SCHEMBL3551478 0.84 MAPT (0.51) LMNAMAPTMEN1KMT2ACYP2C9
SCHEMBL7204874 0.75 CYP2C9 (0.56) LMNAPOLBMEN1KMT2ACYP2C9
SCHEMBL3558328 0.74 NPC1 (0.51) LMNAMAPTMEN1KMT2ACYP2C9
SCHEMBL3550360 0.74 SMN1; SMN2 (0.45) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL3549503 0.72 CYP2C9 (0.61) LMNAPOLBMEN1KMT2ACYP2C9
SCHEMBL13501913 0.72 MEN1 (0.56) LMNAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL3549670 0.72 KMT2A (0.57) LMNAMAPTMEN1KMT2ACYP2C9
SCHEMBL13502124 0.70 CYP2C9 (0.52) LMNAPOLBMEN1KMT2ACYP2C9
SCHEMBL3547004 0.70 HPGD (0.53) LMNAPOLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143446-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, METHODS OF MAKING, AND USES THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-06-04 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
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
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

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 TACR1 756/4885AKR1B1 764/4885CACNA1B 3617/4885
US-20060014740-A1 Analogs exhibiting inhibition of cell proliferation, methods of making, and uses thereof MKI67, MCL1, API5 TACR1 3515/4885AKR1B1 298/4885CACNA1B 4630/4885
US-20060040998-A1 Thiazolidinone amides, thiazolidine carboxylic acid amides, methods of making, and uses thereof NAT1, AADAC, PPARG TACR1 756/4885AKR1B1 764/4885CACNA1B 3617/4885
US-20080255213-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS SRM, SAT1, SMS TACR1 538/4885AKR1B1 2175/4885CACNA1B 4597/4885
US-20070155807-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS SRM, SAT1, SMS TACR1 395/4885AKR1B1 1442/4885CACNA1B 4640/4885

“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.