SCHEMBL633548

SCHEMBL633548

CCOC(=O)CCN1C(=O)CCC(N2Cc3c(csc3N)C2=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
TNF P01375 2/20 0.33
KAT2B Q92831 1/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAP1LC3B Q9GZQ8 2/20 0.32
PIN1 Q13526 1/20 0.32
PIN4 Q9Y237 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3339484 0.92 GAA (0.38) ALDH1A1MAPTGAAMEN1RAB9A
SCHEMBL633122 0.85 CRBN (0.35) TNFMAP1LC3B
SCHEMBL633625 0.84 ALDH1A1 (0.33) ALDH1A1TNFMEN1KMT2AMAP1LC3B
SCHEMBL633006 0.83 CYP19A1 (0.37) ALDH1A1MAPTTNFMEN1KMT2A
SCHEMBL633378 0.83 SMN1; SMN2 (0.34) ALDH1A1TNFMAP1LC3BLMNA
SCHEMBL632788 0.83 CRBN (0.34) ALDH1A1MAPTTNFALOX15GAA
SCHEMBL4779917 0.82 CYP2C19 (0.40) CYP2C19HIF1ACYP2D6ALDH1A1MAPT
SCHEMBL632635 0.81 ALDH1A1 (0.34) ALDH1A1TNFKMT2AHSD17B10MAP1LC3B
SCHEMBL632527 0.81 CRBN (0.32) TNFMEN1KMT2AMAP1LC3B
SCHEMBL633406 0.79 CRBN (0.32) TNFMAP1LC3B

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-2093228-B1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2012-02-22 EP disclosed
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 CYP2C19 2194/4885HIF1A 240/4885CYP2D6 1746/4885

“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.