SCHEMBL633625

SCHEMBL633625

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HDAC6 Q9UBN7 7/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.32
PPARG P37231 1/20 0.32
OPRL1 P41146 2/20 0.32
CRBN Q96SW2 2/20 0.31
BRD4 O60885 1/20 0.31
TNF P01375 1/20 0.31
IL1B P01584 1/20 0.31
IKZF1 Q13422 1/20 0.31
DDB1 Q16531 1/20 0.31
IKZF3 Q9UKT9 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
AKR1B1 P15121 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL3339484 0.90 GAA (0.38) ALDH1A1PPARGLMNAMEN1KMT2A
SCHEMBL632788 0.85 CRBN (0.34) ALDH1A1MAP1LC3BCRBNBRD4TNF
SCHEMBL633548 0.84 CYP2C19 (0.39) ALDH1A1MAP1LC3BPPARGTNFLMNA
SCHEMBL633122 0.83 CRBN (0.35) MAP1LC3BCRBNBRD4TNFIL1B
SCHEMBL633378 0.83 SMN1; SMN2 (0.34) ALDH1A1HDAC6MAP1LC3BCRBNBRD4
SCHEMBL632527 0.83 CRBN (0.32) HDAC6MAP1LC3BCRBNBRD4TNF
SCHEMBL632755 0.83 CRBN (0.31) CRBNBRD4TNFIL1BIKZF1
SCHEMBL633406 0.82 CRBN (0.32) MAP1LC3BCRBNBRD4TNFIL1B
SCHEMBL632635 0.81 ALDH1A1 (0.34) ALDH1A1HDAC6MAP1LC3BCRBNBRD4
SCHEMBL633006 0.81 CYP19A1 (0.37) ALDH1A1HDAC6MAP1LC3BCRBNBRD4

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 ALDH1A1 624/4885HDAC6 2593/4885MAP1LC3B 2682/4885

“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.