SCHEMBL9300286

SCHEMBL9300286

CC(C)(C)OC(=O)NCC(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
SLC6A9 P48067 11/20 0.51
SLC6A5 Q9Y345 6/20 0.51
SYK P43405 1/20 0.46
F7 P08709 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
MDM4 O15151 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MDM2 Q00987 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2009327 0.92 SLC6A9 (0.64) TSHRCTSSCTSKSLC6A9SLC6A5
SCHEMBL15145801 0.87 GPR139 (0.62) CTSKGPR139MEN1KMT2A
SCHEMBL16265379 0.87 GPR139 (0.62) CTSKGPR139MEN1KMT2A
SCHEMBL7369435 0.87 CTSK (0.52) TSHRCTSSCTSKSLC6A9SLC6A5
SCHEMBL18989452 0.86 CTSK (0.50) CTSSCTSKSYKGPR139MAPT
SCHEMBL18989457 0.86 CTSK (0.50) CTSSCTSKSYKGPR139MAPT
SCHEMBL18989598 0.86 CTSK (0.50) CTSSCTSKSYKGPR139MAPT
SCHEMBL7408909 0.86 CTSS (0.57) CTSSCTSK
SCHEMBL7371036 0.85 CTSS (0.55) TSHRCTSSCTSKSLC6A9SLC6A5
SCHEMBL23332653 0.85 CTSK (0.55) CTSSCTSKSYKGPR139MAPT

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
JP-6065287-A None JP disclosed
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
JP-H0665287-A PEPTIDE NISSHIN FLOUR MILLING CO LTD 1994-03-08 JP 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-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF AADAT, BCAT2, BCAT1 TSHR 4219/4885CTSS 4733/4885CTSK 4721/4885

“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.