SCHEMBL3391207

SCHEMBL3391207

O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2Cl)S1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.54
▸ PTPN1 P18031 2/20 0.54
▸ MTOR P42345 1/20 0.53
▸ PTP4A3 O75365 1/20 0.52
▸ DUSP4 Q13115 1/20 0.52
▸ PTP4A1 Q93096 1/20 0.52
▸ PARP1 P09874 1/20 0.51
▸ PTGS2 P35354 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ PLK1 P53350 1/20 0.47
▸ PTPN2 P17706 1/20 0.47
▸ CDC25B P30305 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL3391203 1.00 PTGES (0.54) PTGESPTPN1MTORPTP4A3DUSP4
SCHEMBL13345210 0.85 PLK1 (0.65) PTGESMTORPTP4A3DUSP4PTP4A1
SCHEMBL3391172 0.80 PTGES (0.53) PTGESMTORPTP4A3DUSP4PTP4A1
SCHEMBL3391167 0.80 PTGES (0.53) PTGESMTORPTP4A3DUSP4PTP4A1
SCHEMBL23036942 0.79 MTOR (0.59) PTGESMTORPARP1PTGS2
SCHEMBL3393009 0.76 MTOR (0.56) PTGESMTORPARP1PTGS2
SCHEMBL3389983 0.76 PTGES (0.61) PTGESPTP4A3DUSP4PTP4A1PTGS2
SCHEMBL3389978 0.76 PTGES (0.61) PTGESPTP4A3DUSP4PTP4A1PTGS2
SCHEMBL4035544 0.76 PIK3CG (0.62) PIK3CG
SCHEMBL4035542 0.76 PIK3CG (0.62) PIK3CG

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 3261/4885PTPN1 2922/4885MTOR 656/4885

“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.

Send feedback