SCHEMBL3864643

SCHEMBL3864643

CCOC(=O)c1csc(NC(C)C)c1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 3/20 0.43

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
SCHEMBL7016561 0.84 MEN1 (0.52) MEN1KMT2AATMALDH1A1TSHR
SCHEMBL10530351 0.82 MEN1 (0.46) MEN1KMT2AATMALDH1A1TSHR
SCHEMBL6636910 0.78 TSHR (0.46) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL17895443 0.77 ALDH1A1 (0.44) MEN1KMT2AATMALDH1A1TSHR
SCHEMBL18430423 0.76 TSHR (0.50) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL6725031 0.75 PTGER4 (0.45) MEN1KMT2AATMALDH1A1TSHR
SCHEMBL4102678 0.73 ALDH1A1 (0.61) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2206209 0.73 MAPK1 (0.64) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL30002563 0.72 LMNA (0.50) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL24322959 0.72 MAPK8 (0.49) ALDH1A1TSHRCYP1A2CYP3A4MAPT

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
EP-1414825-B9 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
US-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 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 (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-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 MEN1 3711/4885KMT2A 2313/4885ATM 4263/4885

“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.