SCHEMBL634077

SCHEMBL634077

CNc1scc2c1CN(C1CCC(=O)N(C)C1=O)C2=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.46
DDB1 Q16531 2/20 0.36
BRD4 O60885 1/20 0.31
TNF P01375 1/20 0.31
IL1B P01584 1/20 0.31
IKZF1 Q13422 1/20 0.31
IKZF3 Q9UKT9 1/20 0.31

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
SCHEMBL632820 0.85 CRBN (0.33) CRBN
SCHEMBL633070 0.83 CRBN (0.32) CRBN
SCHEMBL633540 0.79 CRBN (0.47) CRBNDDB1
SCHEMBL4780475 0.77 CRBN (0.35) CRBNDDB1TNFIL1BIKZF1
SCHEMBL24745075 0.76 CRBN (0.48) CRBNDDB1BRD4TNFIL1B
SCHEMBL632688 0.74 CRBN (0.56) CRBNDDB1
SCHEMBL16687324 0.73 CRBN (0.43) CRBNDDB1BRD4TNFIL1B
SCHEMBL24745571 0.71 CRBN (0.56) CRBNDDB1IKZF1IKZF3
SCHEMBL24160836 0.71 CRBN (0.50) CRBNDDB1BRD4TNFIL1B
SCHEMBL23355848 0.71 CRBN (0.50) CRBNDDB1BRD4TNFIL1B

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 CRBN 2750/4885DDB1 1368/4885BRD4 1875/4885

“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.