SCHEMBL3831387

SCHEMBL3831387

CCCn1c(=O)n(C)c(=O)c2c(C(=O)OCC)csc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ADORA2B P29275 3/20 0.40
HSD17B10 Q99714 3/20 0.40
RECQL P46063 2/20 0.38
PKM P14618 2/20 0.38
GLA P06280 1/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
USP2 O75604 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
SCHEMBL4804328 0.91 ADORA2B (0.43) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL3833080 0.87 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPTCYP3A4CYP2C9
SCHEMBL4805021 0.87 ADORA2B (0.46) ALDH1A1KDM4EHPGDGAAADORA2B
SCHEMBL4801047 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL3871578 0.81 KDM4E (0.39) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL3829773 0.71 SLC16A1 (0.39) ALDH1A1SMN1; SMN2PKMCYP3A4CYP2C9
SCHEMBL6473393 0.69 TSHR (0.47) ALDH1A1SMN1; SMN2HSD17B10PKMMAPT
SCHEMBL7008610 0.69 PDE1A (0.41) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL6471776 0.69 TSHR (0.45) ALDH1A1KDM4ESMN1; SMN2HSD17B10PKM
SCHEMBL3826401 0.68 ADORA2B (0.44) ALDH1A1KDM4EHPGDGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414825-B9 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease ASTRAZENECA AB (SE) 2008-08-28 US disclosed
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-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-7361660-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-04-22 US disclosed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
EP-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 US disclosed
US-20040171623-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-09-02 US disclosed
EP-1414825-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO 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 (4 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 ALDH1A1 463/4885KDM4E 2323/4885HPGD 199/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 ALDH1A1 401/4885KDM4E 181/4885HPGD 1655/4885
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 ALDH1A1 84/4885KDM4E 1355/4885HPGD 693/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 ALDH1A1 242/4885KDM4E 2081/4885HPGD 469/4885

“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.