SCHEMBL632688

SCHEMBL632688

CN1C(=O)CCC(N2Cc3cscc3C2=O)C1=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 12/20 0.56
DDB1 Q16531 1/20 0.35
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL632924 0.84 CRBN (0.41) CRBNHDAC1HDAC6
SCHEMBL632618 0.83 CRBN (0.40) CRBNHDAC1HDAC6
SCHEMBL632597 0.81 CRBN (0.39) CRBNHDAC1HDAC6
SCHEMBL632708 0.81 CRBN (0.39) CRBNHDAC1HDAC6
SCHEMBL633440 0.81 CRBN (0.38) CRBNHDAC1HDAC6
SCHEMBL632683 0.81 CRBN (0.38) CRBN
SCHEMBL30121132 0.80 CRBN (0.63) CRBNDDB1HDAC1HDAC6
SCHEMBL824532 0.80 CRBN (0.63) CRBNDDB1HDAC1HDAC6
SCHEMBL4780819 0.79 CRBN (0.41) CRBNDDB1
SCHEMBL633493 0.78 HDAC6 (0.37) CRBNHDAC1HDAC6

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 1368/4885HDAC1 1210/4885

“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.