SCHEMBL2363485

SCHEMBL2363485

CCC(NC(=O)OC(C)(C)C)C(=O)NCC#CCO

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.72
CTSK P43235 15/20 0.72
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
CAPN1 P07384 1/20 0.44

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
SCHEMBL14952748 0.87 CTSS (0.59) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL12712549 0.84 CTSS (0.74) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL18884395 0.84 CTSS (0.74) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL8239753 0.83 CTSS (0.72) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL10076131 0.82 CTSS (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL12980339 0.81 CTSK (0.61) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL12980341 0.81 CTSK (0.61) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL21111329 0.79 CTSS (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL3275039 0.79 CTSS (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL12336548 0.79 CTSS (0.67) CTSSCTSKCTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008007-B2 S-adenosyl-L-methionine analogs with extended activated groups for transfer by methyltransferases RWTH AACHEN (DE) 2011-08-30 US disclosed
EP-1874790-B1 NEW S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES RWTH AACHEN (DE) 2010-08-18 EP disclosed
US-20090018101-A1 S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES RWTH AACHEN (DE) 2009-01-15 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-20090018101-A1 S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES BHMT2, MSRB3, PRMT3 CTSS 3814/4885CTSK 4664/4885CTSL 4492/4885

“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.