Sugi Predict

Sugi Predict / Compounds / SCHEMBL4804328

SCHEMBL4804328

SCHEMBL4804328

CCOC(=O)c1csc2c1c(=O)n(C)c(=O)n2CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.36
▸ BAZ2A Q9UIF9 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL3831387 0.91 ALDH1A1 (0.40) ADORA2BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3833080 0.88 SMN1; SMN2 (0.42) ALDH1A1HTTL3MBTL1LMNAMAPK1
SCHEMBL4805021 0.88 ADORA2B (0.46) ADORA2BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4801047 0.87 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL3871578 0.82 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5133763 0.78 ADORA2B (0.62) ADORA2BALDH1A1CYP1A2L3MBTL1ERCC5
SCHEMBL3829773 0.72 SLC16A1 (0.39) ALDH1A1HTTPKML3MBTL1LMNA
SCHEMBL7008610 0.70 PDE1A (0.41) ALDH1A1CYP1A2HTTL3MBTL1LMNA
SCHEMBL6471284 0.69 MEN1 (0.46) ADORA2BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6473393 0.68 TSHR (0.47) ALDH1A1HSD17B10HTTPKML3MBTL1

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
US-20080153855-A1 Thieno[2,3-d]pyrimidinedione derivatives; antiproliferative agents against T-cells; chronic obstructive pulmonary disease, asthma; immunosuppressants, antihistamines, bronchodilator agents, and anticarcinogenic agents ASTRAZENECA AB, A SWEDEN CORPORATION 2008-06-26 — — US disclosed
US-7361660-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-04-22 — — US disclosed
EP-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 — — EP disclosed
US-20040171623-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-09-02 — — 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-20080153855-A1 Thieno[2,3-d]pyrimidinedione derivatives; antiproliferative agents against T-cells; chronic obstructive pulmonary disease, asthma; immunosuppressants, antihistamines, bronchodilator agents, and anticarcinogenic agents HRH4, HRH2, HRH3 ADORA2B 91/4885KDM4E 2323/4885ALDH1A1 463/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 ADORA2B 1184/4885KDM4E 181/4885ALDH1A1 401/4885

“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.