SCHEMBL1046306

SCHEMBL1046306

O=C(/N=c1\s[nH]c(=O)n1Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.45
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
PPARG P37231 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
CNR2 P34972 3/20 0.40
MDM2 Q00987 1/20 0.40
PLA2G1B P04054 2/20 0.40
ATG4B Q9Y4P1 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL1046308 1.00 CTSK (0.45) CTSKGRIN1GRIN2BPPARGMAPK1
SCHEMBL11295923 0.90 MAPT (0.47) CTSKPPARGMAPK1MAPTCNR2
SCHEMBL1050227 0.85 CTSK (0.43) CTSKGRIN1GRIN2BPPARGMAPT
SCHEMBL1050226 0.85 CTSK (0.43) CTSKGRIN1GRIN2BPPARGMAPT
SCHEMBL1052137 0.84 CTSK (0.45) CTSKMAPTCNR2MEN1KMT2A
SCHEMBL1052134 0.84 CTSK (0.45) CTSKMAPTCNR2MEN1KMT2A
SCHEMBL3705615 0.81 GRIN1 (0.42) CTSKGRIN1GRIN2BPPARGMAPT
SCHEMBL3705617 0.81 GRIN1 (0.42) CTSKGRIN1GRIN2BPPARGMAPT
SCHEMBL1051812 0.81 LMNA (0.42) CTSKMAPTGAAKMT2AHTT
SCHEMBL1051813 0.81 LMNA (0.42) CTSKMAPTGAAKMT2AHTT

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-20160128993-A1 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BALTICGRUPPEN BIO AB (SE) 2016-05-12 US claimed
EP-2451794-B1 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BALTIC BIO AB (SE) 2016-01-27 EP claimed
US-20120183537-A1 1,2,4-THIAZOLOIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BETAGENON AB 2012-07-19 US claimed
EP-2451794-A2 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BALTIC BIO AB (SE) 2012-05-16 EP claimed
WO-2011004162-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2011-01-13 WO claimed
US-9675596-B2 1,2,4-thiazolidin-3-one derivatives and their use in the treatment of cancer BALTIC BIO AB (SE) 2017-06-13 US disclosed
US-9675596-B2 1,2,4-thiazolidin-3-one derivatives and their use in the treatment of cancer BALTIC BIO AB (SE) 2017-06-13 US disclosed
US-20160128993-A1 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BALTICGRUPPEN BIO AB (SE) 2016-05-12 US disclosed
EP-2451794-B1 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BALTIC BIO AB (SE) 2016-01-27 EP disclosed
EP-2451794-B1 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BALTIC BIO AB (SE) 2016-01-27 EP disclosed
US-9162994-B2 1,2,4-thiazoloidin-3-one derivatives and their use in the treatment of cancer BETAGENON AB (SE) 2015-10-20 US disclosed
US-20120183537-A1 1,2,4-THIAZOLOIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BETAGENON AB 2012-07-19 US disclosed
EP-2451794-A2 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BALTIC BIO AB (SE) 2012-05-16 EP disclosed
WO-2011004162-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2011-01-13 WO disclosed
WO-2011004162-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2011-01-13 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 (2 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-20160128993-A1 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, CCND3, MTNR1A CTSK 3911/4885GRIN1 3517/4885GRIN2B 3939/4885
US-20120183537-A1 1,2,4-THIAZOLOIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, CCND3, MTNR1A CTSK 3534/4885GRIN1 3686/4885GRIN2B 4127/4885

“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.