SCHEMBL3339484

SCHEMBL3339484

CCOC(=O)CN1C(=O)CCC(N2Cc3c(csc3N)C2=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
PIN1 Q13526 1/20 0.38
PIN4 Q9Y237 1/20 0.38
PPARG P37231 1/20 0.37
LMNA P02545 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL633548 0.92 CYP2C19 (0.39) GAAMEN1KMT2ARAB9APIN1
SCHEMBL633625 0.90 ALDH1A1 (0.33) MEN1KMT2APPARGLMNAALDH1A1
SCHEMBL632788 0.85 CRBN (0.34) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL633122 0.83 CRBN (0.35)
SCHEMBL633378 0.81 SMN1; SMN2 (0.34) LMNAALDH1A1SMN1; SMN2
SCHEMBL4780071 0.81 PIN1 (0.41) GAAMEN1KMT2ARAB9APIN1
SCHEMBL632680 0.81 GAA (0.44) GAAMEN1KMT2ARAB9APIN1
SCHEMBL633406 0.81 CRBN (0.32)
SCHEMBL632635 0.80 ALDH1A1 (0.34) KMT2ALMNAALDH1A1HSD17B10HTT
SCHEMBL632527 0.79 CRBN (0.32) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-06-17 US disclosed
EP-2093228-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-08-26 EP 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-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, CYC1 GAA 3854/4885MEN1 1165/4885KMT2A 4760/4885

“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.