SCHEMBL10151437

SCHEMBL10151437

CN1C[C@H](COS(C)(=O)=O)OC1=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPN1 P18031 1/20 0.34
ACP1 P24666 1/20 0.34
CDC25B P30305 1/20 0.34
GRM2 Q14416 6/20 0.33
GRM5 P41594 3/20 0.31

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
SCHEMBL14168364 1.00 MAOA (0.38) MAOAIRAK4MAPK1L3MBTL1PTPN1
SCHEMBL9230345 0.81 MAPK1 (0.49) MAOAMAPK1L3MBTL1PTPN1ACP1
SCHEMBL9230346 0.80 HTR2B (0.41) MAOAMAPK1L3MBTL1GRM2
SCHEMBL9230342 0.80 HTR2B (0.41) MAOAMAPK1L3MBTL1GRM2
SCHEMBL10368362 0.80 CA2 (0.47) MAOAMAPK1L3MBTL1GRM2
SCHEMBL14183559 0.80 CA2 (0.47) MAOAMAPK1L3MBTL1GRM2
SCHEMBL16609887 0.79 MAOA (0.57) MAOAIRAK4MAPK1L3MBTL1GRM2
SCHEMBL10600802 0.78 CYP2D6 (0.49) IRAK4MAPK1L3MBTL1GRM2
SCHEMBL17824144 0.78 CYP2D6 (0.49) IRAK4MAPK1L3MBTL1GRM2
SCHEMBL17823617 0.78 CYP2D6 (0.49) IRAK4MAPK1L3MBTL1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785625-B2 Compound having heterocyclic ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-07-22 US disclosed
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING SUZUKI HIDEYUKI (JP) 2012-08-16 US disclosed
US-8148362-B2 Compound having heterocyclic ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-04-03 US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
US-20090299059-A1 Novel Compound Having Heterocyclic Ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-12-03 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 (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-20090299059-A1 Novel Compound Having Heterocyclic Ring NR0B2, NR2C2, NR0B1 MAOA 2965/4885IRAK4 2233/4885MAPK1 3023/4885
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING OXA1L, MRPL21, TOP1 MAOA 1563/4885IRAK4 772/4885MAPK1 2114/4885
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 MAOA 2966/4885IRAK4 2094/4885MAPK1 3612/4885

“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.