SCHEMBL3391167

SCHEMBL3391167

O=C1NC(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(F)cc(F)c2)S1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SAE1 Q9UBE0 1/20 0.52
▸ UBA2 Q9UBT2 1/20 0.52
▸ PLK1 P53350 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ PTP4A3 O75365 1/20 0.49
▸ DUSP4 Q13115 1/20 0.49
▸ PTP4A1 Q93096 1/20 0.49

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
SCHEMBL3391172 1.00 PTGES (0.53) PTGESPTGS2LMNAMAPTMAPK1
SCHEMBL13345210 0.89 PLK1 (0.65) PTGESPTGS2LMNAMAPTMAPK1
SCHEMBL14133119 0.80 LMNA (0.58) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL3391174 0.80 CDC25B (0.63) MAPTMAPK1MEN1POLBKMT2A
SCHEMBL3391181 0.80 CDC25B (0.63) MAPTMAPK1MEN1POLBKMT2A
SCHEMBL3391203 0.80 PTGES (0.54) PTGESPTGS2PLK1MTORPTP4A3
SCHEMBL3391207 0.80 PTGES (0.54) PTGESPTGS2PLK1MTORPTP4A3
SCHEMBL23036942 0.78 MTOR (0.59) PTGESPTGS2MAPTMAPK1MTOR
SCHEMBL3393009 0.78 MTOR (0.56) PTGESPTGS2MTORIGF1RPARP1
SCHEMBL14132901 0.78 PLK1 (0.62) PTGESPTGS2LMNAMAPTMAPK1

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 3261/4885PTGS2 1853/4885LMNA 2072/4885

“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.

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