SCHEMBL3389983

SCHEMBL3389983

CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=O)NC2=O)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.61
HPGD P15428 4/20 0.60
MAPT P10636 2/20 0.60
PTP4A3 O75365 1/20 0.54
DUSP4 Q13115 1/20 0.54
PTP4A1 Q93096 1/20 0.54
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CDC25B P30305 1/20 0.51
PTGS2 P35354 1/20 0.50

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
SCHEMBL3389978 1.00 PTGES (0.61) PTGESHPGDMAPTPTP4A3DUSP4
SCHEMBL3392603 0.83 CDC25B (0.73) PTGESHPGDMAPTPTP4A3DUSP4
SCHEMBL3392607 0.83 CDC25B (0.73) PTGESHPGDMAPTPTP4A3DUSP4
SCHEMBL13345210 0.79 PLK1 (0.65) PTGESHPGDMAPTPTP4A3DUSP4
SCHEMBL3392583 0.78 CDC25B (0.81) PTGESHPGDMAPTKDM4EKMT2A
SCHEMBL3392581 0.78 CDC25B (0.81) PTGESHPGDMAPTKDM4EKMT2A
SCHEMBL3391203 0.76 PTGES (0.54) PTGESPTP4A3DUSP4PTP4A1CDC25B
SCHEMBL3391207 0.76 PTGES (0.54) PTGESPTP4A3DUSP4PTP4A1CDC25B
SCHEMBL22259768 0.76 PTGES (1.00) PTGESPTGS2
SCHEMBL22260032 0.76 PTGES (1.00) PTGESPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861395-B1 5-(1,3-DIARYL-1H-PYRAZOL-4-YLMETHYLENE)-THIAZOLIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTICANCER AGENT KOREA RES INST CHEM TECH (KR) 2010-12-29 EP disclosed
US-7718681-B2 5-(1,3-Diaryl-1H-pyrazol-4-ylmethylene)-thiazolidine,2,4-dione derivatives useful as anticancer agent KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-05-18 US disclosed
US-20080275094-A1 5-(1,3-Diaryl-1H-Pyrazol-4-1 Methylene)-Thiazolidine-2,4-Dione Derivatives Useful as Anticancer Agent BARCLAYS BANK PLC (GB) 2008-11-06 US 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-20080275094-A1 5-(1,3-Diaryl-1H-Pyrazol-4-1 Methylene)-Thiazolidine-2,4-Dione Derivatives Useful as Anticancer Agent TP53, CDKN1A, API5 PTGES 3261/4885HPGD 1229/4885MAPT 2588/4885

“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.