SCHEMBL6081117

SCHEMBL6081117

C=CC(=O)Nc1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 4/20 0.52
HIF1A Q16665 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP14 Q460N5 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.46
CREBBP Q92793 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PARP1 P09874 2/20 0.45
PARP10 Q53GL7 2/20 0.45
PARP15 Q460N3 1/20 0.45
NPC1 O15118 1/20 0.45
STAT3 P40763 1/20 0.44
F13A1 P00488 2/20 0.44

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
SCHEMBL15987129 0.83 TGM2 (0.55) TGM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL22118553 0.82 TGM2 (0.56) TGM2STAT3F13A1TGM1TGM3
SCHEMBL13659673 0.81 NPSR1 (0.69) MEN1KMT2ARAB9AALDH1A1NPSR1
SCHEMBL27453091 0.81 ALDH1A1 (0.56) PARP14RAB9AALDH1A1NPSR1NPC1
SCHEMBL8686785 0.81 KMT2A (0.64) MEN1KMT2ARAB9AALDH1A1NPSR1
SCHEMBL1925142 0.81 KMT2A (0.71) TGM2MEN1KMT2ARAB9AALDH1A1
SCHEMBL13662571 0.79 L3MBTL1 (0.61) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL6194954 0.78 TGM2 (0.50) TGM2MEN1KMT2A
SCHEMBL6081313 0.78 POLB (0.51) ALDH1A1STAT3ABCB1ABCG2
SCHEMBL2025451 0.78 SLC7A5 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079503-A1 Thiazolidinones and the use therof as polo-like kinase inhibitors SCHERING AKTIENGESELLSCHAFT 2006-04-13 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-20060079503-A1 Thiazolidinones and the use therof as polo-like kinase inhibitors PLK4, PLK2, PLK3 TGM2 808/4885HIF1A 2756/4885HDAC3 2899/4885

“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.