SCHEMBL6285301

SCHEMBL6285301

CC(C)NC(=O)CN(OC(C)(C)C#N)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSK P43235 2/20 0.33
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
FAAH O00519 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6276856 0.82 PIK3CD (0.41)
SCHEMBL24297164 0.69 KMT2A (0.39) MAPK1CTSKTSHRMEN1FAAH
SCHEMBL4953463 0.68 KMT2A (0.38) MAPK1CTSKTSHRMEN1FAAH
SCHEMBL13118701 0.68 KMT2A (0.38) MAPK1TSHRMEN1FAAHKMT2A
SCHEMBL21413359 0.66 TSHR (0.39) MAPK1SMN1; SMN2CTSKTSHRMEN1
SCHEMBL7725268 0.62 MEN1 (0.43) MAPK1SMN1; SMN2CTSKTSHRMEN1
SCHEMBL23475900 0.62 MEN1 (0.43) MAPK1CTSKTSHRMEN1FAAH
SCHEMBL1896933 0.61
SCHEMBL17630129 0.60 CTSK (0.43) MAPK1SMN1; SMN2CTSKTSHRMEN1
SCHEMBL13118706 0.60 MAPK1 (0.38) MAPK1SMN1; SMN2CTSKTSHRMEN1

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-6841703-B2 Open chain alkoxyamine compounds and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-01-11 US disclosed
EP-1100772-B1 OPEN CHAIN ALKOXYAMINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS CIBA SC HOLDING AG (CH) 2004-04-14 EP disclosed
US-20030125489-A1 Open chain alkoxyamine compounds and their use as polymerization regulators NESVADBA PETER (CH) 2003-07-03 US disclosed
US-6518326-B1 Open chain alkoxyamine compounds and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-11 US disclosed
EP-1100772-A1 OPEN CHAIN ALKOXYAMINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS Ciba SC Holding AG (CH) 2001-05-23 EP disclosed
WO-2000007981-A1 OPEN CHAIN ALKOXYAMINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-02-17 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 (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-20030125489-A1 Open chain alkoxyamine compounds and their use as polymerization regulators ALOX5, PTGER1, ALOX12 MAPK1 1496/4885SMN1; SMN2 2543/4885CTSK 4720/4885

“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.