SCHEMBL4779854

SCHEMBL4779854

COCCN1C(=O)CCC(N2C(=O)c3cscc3C2=O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CRBN Q96SW2 4/20 0.31
DDB1 Q16531 2/20 0.30
CHRM2 P08172 1/20 0.30
OPRM1 P35372 1/20 0.30
IKZF3 Q9UKT9 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CXCR3 P49682 1/20 0.30
MAP1LC3B Q9GZQ8 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
SCHEMBL4779857 0.86 CYP19A1 (0.35) ALDH1A1CRBNDDB1CHRM2OPRM1
SCHEMBL4780293 0.83 CRBN (0.35) ALDH1A1CRBNDDB1CHRM2OPRM1
SCHEMBL632708 0.82 CRBN (0.39) CRBN
SCHEMBL4778654 0.81 DDB1 (0.38) ALDH1A1CRBNDDB1
SCHEMBL4777947 0.81 HTT (0.37) ALDH1A1CRBNDDB1CHRM2OPRM1
SCHEMBL4937736 0.80 CRBN (0.50) ALDH1A1CRBNDDB1TSHR
SCHEMBL31623335 0.80 CRBN (0.50) ALDH1A1CRBNDDB1TSHR
SCHEMBL21402687 0.80 CRBN (0.50) ALDH1A1CRBNDDB1TDP1
SCHEMBL4935519 0.79 DDB1 (0.51) ALDH1A1CRBNDDB1IKZF3
SCHEMBL19889425 0.79 DDB1 (0.53) CRBNDDB1IKZF3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524742-B2 Use of 5H-thioeno(3,4-c)pyrrole-4,6-dione derivatives as tumor necrosis factor inhibitor TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2013-09-03 US claimed
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 claimed
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 claimed
US-8524742-B2 Use of 5H-thioeno(3,4-c)pyrrole-4,6-dione derivatives as tumor necrosis factor inhibitor TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2013-09-03 US disclosed
US-8524742-B2 Use of 5H-thioeno(3,4-c)pyrrole-4,6-dione derivatives as tumor necrosis factor inhibitor TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2013-09-03 US disclosed
US-8524742-B2 Use of 5H-thioeno(3,4-c)pyrrole-4,6-dione derivatives as tumor necrosis factor inhibitor TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2013-09-03 US disclosed
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
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-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-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-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-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-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
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
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
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 ALDH1A1 646/4885CRBN 1305/4885DDB1 790/4885
US-20080176900-A1 5H-THIOENO(3,4-c)PYRROLE-4,6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, CD40 ALDH1A1 1581/4885CRBN 938/4885DDB1 1951/4885

“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.