SCHEMBL6816440

SCHEMBL6816440

CN1C(=O)CCC(N2C(=O)c3csc(N=O)c3C2=O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 6/20 0.35
DDB1 Q16531 3/20 0.32
STAT3 P40763 1/20 0.30
HPGDS O60760 1/20 0.30
TNF P01375 1/20 0.30
IL1B P01584 1/20 0.30
TBXA2R P21731 1/20 0.30
IKZF1 Q13422 1/20 0.30
IKZF3 Q9UKT9 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
SCHEMBL4773163 0.82 CRBN (0.36) CRBNDDB1STAT3HPGDSTNF
SCHEMBL10054602 0.80 DDB1 (0.37) CRBNDDB1
SCHEMBL10054111 0.79 DDB1 (0.35) CRBNDDB1
SCHEMBL4776620 0.79 CRBN (0.37) CRBNDDB1
SCHEMBL4780819 0.77 CRBN (0.41) CRBNDDB1IKZF3
SCHEMBL6814181 0.77 CRBN (0.57) CRBNDDB1TNFIL1BTBXA2R
SCHEMBL845548 0.73 CRBN (0.54) CRBNDDB1TNFIL1BTBXA2R
SCHEMBL22940384 0.71 CRBN (0.62) CRBNDDB1STAT3HPGDSTNF
SCHEMBL9988681 0.71 DDB1 (0.60) CRBNDDB1STAT3HPGDSTNF
SCHEMBL24379127 0.71 CRBN (0.45) CRBNDDB1IKZF3

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
US-20120220631-A1 USE OF 5H-THIOENO(3,4-c)PYRROLE-4,6-DIONE DERIVATIVES AS TUMOR NECROSIS FACTOR INHIBITOR TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2012-08-30 US disclosed
US-8183260-B2 small molecule, low toxicity, high efficiency, high economic value; 5-(2,6-dioxopiperidin-3-yl)-5H-thieno(3,4-c)pyrrole-4,6-dione: TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2012-05-22 US disclosed
US-20080176900-A1 5H-THIOENO(3,4-c)PYRROLE-4,6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2008-07-24 US 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 (2 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-20120220631-A1 USE OF 5H-THIOENO(3,4-c)PYRROLE-4,6-DIONE DERIVATIVES AS TUMOR NECROSIS FACTOR INHIBITOR TNF, TPMT, TNFRSF1A CRBN 1305/4885DDB1 790/4885STAT3 1585/4885
US-20080176900-A1 5H-THIOENO(3,4-c)PYRROLE-4,6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, CD40 CRBN 938/4885DDB1 1951/4885STAT3 1240/4885

“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.