Sugi Predict

Sugi Predict / Compounds / SCHEMBL4808957

SCHEMBL4808957

SCHEMBL4808957

CCCn1c(=O)n(C)c(=O)c2c(C(=O)OC)c(Cn3c(C)nc(Cl)c3Cl)sc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 8/20 0.62
▸ SLC16A1 P53985 7/20 0.62
▸ CYP3A4 P08684 5/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ADORA2B P29275 3/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ PDE4B Q07343 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL3831618 0.93 CYP2C9 (0.63) CYP2C9SLC16A1CYP3A4ABCB11ALDH1A1
SCHEMBL3826680 0.89 SLC16A1 (0.60) CYP2C9SLC16A1CYP3A4ABCB11ADORA2B
SCHEMBL3829809 0.89 SLC16A1 (0.78) CYP2C9SLC16A1CYP3A4ABCB11
SCHEMBL4802526 0.88 SLC16A1 (0.59) CYP2C9SLC16A1CYP3A4ABCB11KDM4E
SCHEMBL4805288 0.87 SLC16A1 (0.81) CYP2C9SLC16A1CYP3A4ABCB11ADORA2B
SCHEMBL4803812 0.86 SLC16A1 (0.61) CYP2C9SLC16A1CYP3A4ABCB11ALDH1A1
SCHEMBL3827135 0.82 SLC16A1 (0.61) CYP2C9SLC16A1CYP3A4ABCB11ALDH1A1
SCHEMBL5786963 0.81 SLC16A1 (0.64) CYP2C9SLC16A1CYP3A4ABCB11
SCHEMBL3828120 0.80 SLC16A1 (0.66) CYP2C9SLC16A1CYP3A4ABCB11
SCHEMBL3830463 0.80 SLC16A1 (0.60) CYP2C9SLC16A1CYP3A4ABCB11

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 CYP2C9 682/4885SLC16A1 4716/4885CYP3A4 397/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 CYP2C9 63/4885SLC16A1 1397/4885CYP3A4 60/4885

“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.