SCHEMBL2580362

SCHEMBL2580362

COC(=O)CCC(NC(C)C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CA12 O43570 3/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALOX5 P09917 1/20 0.39
SLC1A1 P43005 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.35
CA14 Q9ULX7 2/20 0.35
CA7 P43166 1/20 0.35
FOLH1 Q04609 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2580366 1.00 TSHR (0.44) TSHRCA12CA9CA1CA2
SCHEMBL18289209 0.85 FOLH1 (0.35) CA12CA9CA1CA2L3MBTL1
SCHEMBL12174501 0.85 TSHR (0.44) TSHRCA12CA9CA1CA2
SCHEMBL8996619 0.84 TSHR (0.37) TSHRCA12CA9CA1CA2
SCHEMBL8996690 0.84 TSHR (0.37) TSHRCA12CA9CA1CA2
SCHEMBL752074 0.84 TSHR (0.37) TSHRCA12CA9CA1CA2
SCHEMBL19483463 0.83 TSHR (0.43) TSHRCA12CA9CA1CA2
SCHEMBL9886433 0.80 TSHR (0.40) TSHRCA12CA9CA1CA2
SCHEMBL24445692 0.80 TSHR (0.48) TSHRCA12CA9CA1CA2
SCHEMBL15180397 0.80 TSHR (0.48) TSHRCA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
CN-101511787-B Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use GLAXO GROUP LTD. (GB) 2011-11-30 CN disclosed
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 US disclosed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
CN-101511787-A Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use GLAXO GROUP LTD (GB) 2009-08-19 CN disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 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-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 TSHR 1498/4885CA12 4805/4885CA9 4285/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 TSHR 1498/4885CA12 4805/4885CA9 4285/4885

“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.