SCHEMBL632708

SCHEMBL632708

COCCN1C(=O)CCC(N2Cc3cscc3C2=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.39
MAPT P10636 1/20 0.35
HDAC6 Q9UBN7 14/20 0.34
HDAC1 Q13547 1/20 0.32
PARP1 P09874 1/20 0.31
CALCRL Q16602 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 0.87 CRBN (0.41) CRBNMAPTHDAC6HDAC1
SCHEMBL632597 0.85 CRBN (0.39) CRBNMAPTHDAC6HDAC1
SCHEMBL632618 0.85 CRBN (0.40) CRBNHDAC6HDAC1
SCHEMBL633493 0.83 HDAC6 (0.37) CRBNHDAC6HDAC1
SCHEMBL4779854 0.82 ALDH1A1 (0.32) CRBN
SCHEMBL633440 0.82 CRBN (0.38) CRBNHDAC6HDAC1
SCHEMBL632688 0.81 CRBN (0.56) CRBNHDAC6HDAC1
SCHEMBL633939 0.80 CRBN (0.36) CRBNMAPTHDAC6HDAC1
SCHEMBL632680 0.80 GAA (0.44) CRBNMAPT
SCHEMBL3340805 0.79 HDAC6 (0.39) CRBNMAPTHDAC6HDAC1

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 2750/4885MAPT 4754/4885HDAC6 2593/4885

“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.