SCHEMBL4800541

SCHEMBL4800541

CCOC(=O)c1c(C)sc(NC(C)C)c1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FHIT P49789 1/20 0.50
KDM4E B2RXH2 5/20 0.47
MAPK1 P28482 2/20 0.47
PKM P14618 1/20 0.45
ALDH1A1 P00352 8/20 0.44
MAPT P10636 6/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.41
CASP1 P29466 1/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2206209 0.85 MAPK1 (0.64) KDM4EMAPK1ALDH1A1MAPTKMT2A
SCHEMBL14708470 0.75 FHIT (0.74) FHITKDM4EMAPK1PKMALDH1A1
SCHEMBL9957767 0.75 PDE4D (0.45) KDM4EMAPK1ALDH1A1MAPTKMT2A
SCHEMBL13861483 0.71 ALDH1A1 (0.46) FHITKDM4EMAPK1ALDH1A1MAPT
SCHEMBL3864643 0.71 MEN1 (0.50) KDM4EMAPK1ALDH1A1MAPTKMT2A
SCHEMBL18357933 0.70 KDM4E (0.71) FHITKDM4EMAPK1PKMALDH1A1
SCHEMBL10612914 0.69 MAPK1 (0.66) KDM4EMAPK1ALDH1A1MAPTKMT2A
SCHEMBL13343389 0.67 FHIT (1.00) FHITKDM4EMAPK1ALDH1A1MAPT
SCHEMBL10613098 0.67 MAPT (0.62) KDM4EMAPK1ALDH1A1MAPTKMT2A
SCHEMBL168027 0.67 FHIT (0.61) FHITKDM4EMAPK1PKMALDH1A1

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 FHIT 4735/4885KDM4E 2323/4885MAPK1 2232/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 FHIT 2897/4885KDM4E 181/4885MAPK1 2613/4885

“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.