Sugi Predict

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SCHEMBL4806350

SCHEMBL4806350

CCOC(=O)c1c(C(O)c2ccnc3ccccc23)sc2c1c(=O)n(C)c(=O)n2CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A1 P53985 7/20 0.43
▸ CYP3A4 P08684 4/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ SLC16A7 O60669 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RECQL P46063 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL4805002 0.92 SLC16A1 (0.45) SLC16A1CYP3A4CYP2C9SLC16A7ALDH1A1
SCHEMBL3829226 0.91 SLC16A1 (0.45) SLC16A1CYP3A4CYP2C9SLC16A7ALDH1A1
SCHEMBL4804329 0.90 SLC16A1 (0.54) SLC16A1CYP3A4CYP2C9SLC16A7ALDH1A1
SCHEMBL4920834 0.88 SLC16A1 (0.44) SLC16A1CYP3A4CYP2C9SLC16A7ALDH1A1
SCHEMBL5097873 0.86 SLC16A1 (0.41) SLC16A1CYP3A4CYP2C9SLC16A7ALDH1A1
SCHEMBL4842825 0.84 SLC16A1 (0.52) SLC16A1CYP3A4CYP2C9SLC16A7ALDH1A1
SCHEMBL4801206 0.84 SLC16A1 (0.57) SLC16A1CYP3A4CYP2C9SLC16A7ALDH1A1
Butane SCHEMBL3867606 0.78 SLC16A1 (0.56) SLC16A1CYP3A4CYP2C9SLC16A7
SCHEMBL5805048 0.77 SLC16A1 (0.47) SLC16A1CYP3A4CYP2C9SLC16A7ALDH1A1
SCHEMBL4797256 0.75 SLC16A1 (0.60) SLC16A1CYP3A4CYP2C9SLC16A7ALDH1A1

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-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

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-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 SLC16A1 4716/4885CYP3A4 397/4885CYP2C9 682/4885

“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.