SCHEMBL4780107

SCHEMBL4780107

Nc1scc2c1C(=O)N(C1CCC(=O)N(CCCO)C1=O)C2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 4/20 0.32
TNF P01375 1/20 0.32
IL1B P01584 1/20 0.32
TBXA2R P21731 1/20 0.32
IKZF1 Q13422 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
IKZF3 Q9UKT9 1/20 0.32
PABPC1 P11940 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
RGS12 O14924 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4780184 0.93 DDB1 (0.33) TNFIL1BTBXA2RIKZF1DDB1
SCHEMBL4775564 0.89 CYP19A1 (0.37) TNFIL1BTBXA2RIKZF1DDB1
SCHEMBL4778754 0.87 CYP19A1 (0.35) TNFIL1BTBXA2RIKZF1DDB1
SCHEMBL6755164 0.86 TNF (0.30) TNFIL1BTBXA2RIKZF1DDB1
SCHEMBL4778652 0.84 CRBN (0.34) HTTTSHRHSD17B10ALDH1A1TNF
SCHEMBL4777947 0.83 HTT (0.37) HTTUSP2TSHRHSD17B10ALDH1A1
SCHEMBL6755179 0.83 DDB1 (0.32) TNFIL1BTBXA2RIKZF1DDB1
SCHEMBL4777868 0.83 DDB1 (0.36) DDB1CRBNSMN1; SMN2
SCHEMBL4940663 0.81 DDB1 (0.52) ALDH1A1TNFIL1BTBXA2RIKZF1
SCHEMBL4779917 0.81 CYP2C19 (0.40) ALDH1A1TNFKMT2AMEN1LMNA

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 15 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 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
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 HTT 921/4885USP2 1226/4885TSHR 1010/4885
US-20080176900-A1 5H-THIOENO(3,4-c)PYRROLE-4,6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, CD40 HTT 2572/4885USP2 3811/4885TSHR 181/4885

“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.