SCHEMBL4780692

SCHEMBL4780692

COC(=O)C(C)N1C(=O)CCC(N2C(=O)c3csc([N+](=O)[O-])c3C2=O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL4777865 0.85 DDB1 (0.32) DDB1CRBNALDH1A1
SCHEMBL4777647 0.81 DDB1 (0.36) DDB1CRBN
SCHEMBL4780694 0.79 DDB1 (0.35) DDB1CRBNALDH1A1MAPT
SCHEMBL4776620 0.79 CRBN (0.37) DDB1CRBN
SCHEMBL4779912 0.76 L3MBTL1 (0.33) DDB1CRBNALDH1A1MAPT
SCHEMBL4778990 0.69 CRBN (0.61) DDB1CRBNALDH1A1
SCHEMBL27861226 0.67 CRBN (0.42) DDB1CRBNALDH1A1
SCHEMBL27843749 0.66 CRBN (0.41) DDB1CRBNALDH1A1MAPT
SCHEMBL19359312 0.66 DDB1 (0.60) DDB1CRBNALDH1A1MAPT
SCHEMBL20263346 0.66 CRBN (0.54) DDB1CRBNALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964842-B1 5H-THIENO [3,4-c]PYRROLE-4, 6-DIONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR TIAN JIN HEMAY BIO TECH CO LTD (CN) 2012-09-12 EP 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
EP-1964842-A1 5H-THIENO [3,4-c]PYRROLE-4, 6-DIONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2008-09-03 EP 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 (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-20080176900-A1 5H-THIOENO(3,4-c)PYRROLE-4,6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, CD40 DDB1 1951/4885CRBN 938/4885ALDH1A1 1581/4885

“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.