SCHEMBL5855748

SCHEMBL5855748

CCOC(=O)Cn1cc[nH]c(=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
PIN1 Q13526 1/20 0.42
PIN4 Q9Y237 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
ELANE P08246 1/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
MITF O75030 1/20 0.39
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL3589734 0.84 KMT2A (0.50) KMT2AGSK3AGSK3BALDH1A1KDM4E
SCHEMBL2831481 0.73 ALDH1A1 (0.52) KMT2AGSK3AGSK3BALDH1A1KDM4E
SCHEMBL7082273 0.72 ALDH1A1 (0.49) KMT2AGSK3AGSK3BALDH1A1KDM4E
SCHEMBL5180011 0.72 ALDH1A1 (0.51) GSK3AGSK3BALDH1A1KDM4EPIN1
SCHEMBL12636575 0.71 FPR2 (0.46) KMT2AGSK3AGSK3BALDH1A1KDM4E
SCHEMBL2824950 0.71 ALDH1A1 (0.50) KMT2AGSK3AGSK3BALDH1A1KDM4E
SCHEMBL3911656 0.71 ALDH1A1 (0.50) GSK3AGSK3BALDH1A1KDM4EPIN1
SCHEMBL12636573 0.71 FPR2 (0.46) KMT2AGSK3AGSK3BALDH1A1KDM4E
SCHEMBL13115685 0.71 LMNA (0.46) KMT2AALDH1A1KDM4EPIN1PIN4
SCHEMBL21246876 0.70 KMT2A (0.43) KMT2AGSK3AGSK3BALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341784-A2 PROCESS FOR MAKING A THROMBIN INHIBITOR Merck & Co., Inc. (US) 2003-09-10 EP claimed
US-20020103379-A1 Process for making a thrombin inhibitor MERCK SHARP & DOHME LTD. (GB) 2002-08-01 US claimed
WO-2002046160-A2 PROCESS FOR MAKING A THROMBIN INHIBITOR MERCK & CO., INC. (US) 2002-06-13 WO claimed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-7026324-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-04-11 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 US disclosed
EP-1359913-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-11-12 EP disclosed
EP-1341784-A2 PROCESS FOR MAKING A THROMBIN INHIBITOR Merck & Co., Inc. (US) 2003-09-10 EP disclosed
WO-2002064140-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
US-20020103379-A1 Process for making a thrombin inhibitor MERCK SHARP & DOHME LTD. (GB) 2002-08-01 US disclosed
WO-2002046160-A2 PROCESS FOR MAKING A THROMBIN INHIBITOR MERCK & CO., INC. (US) 2002-06-13 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 (3 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-20020103379-A1 Process for making a thrombin inhibitor TFPI, TFPI2, F2 KMT2A 507/4885GSK3A 2840/4885GSK3B 3587/4885
US-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 KMT2A 3143/4885GSK3A 2211/4885GSK3B 1826/4885
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 KMT2A 3601/4885GSK3A 2042/4885GSK3B 1670/4885

“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.