SCHEMBL6224692

SCHEMBL6224692

CCOC(=O)C(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
SYK P43405 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
SERPINE1 P05121 1/20 0.40
CA7 P43166 1/20 0.40
CTSS P25774 4/20 0.39
CTSK P43235 4/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8465153 1.00 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTSYK
SCHEMBL28220300 1.00 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTSYK
SCHEMBL21366315 0.87 CYP2C19 (0.41) CYP1A2CYP2C9CYP2C19HTTSYK
SCHEMBL85950 0.86 CA12 (0.46) SYKMEN1KMT2AGAATDP1
SCHEMBL29689259 0.86 CA12 (0.46) SYKMEN1KMT2AGAATDP1
SCHEMBL1262051 0.86 CA12 (0.46) SYKMEN1KMT2AGAATDP1
SCHEMBL1262055 0.86 CA12 (0.46) SYKMEN1KMT2AGAATDP1
SCHEMBL21423488 0.85 SYK (0.42) SYKMEN1KMT2AGAATDP1
SCHEMBL4766400 0.84 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTSYK
SCHEMBL21423478 0.83 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2020-05-07 US disclosed
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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 (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-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 CYP1A2 3284/4885CYP2C9 4692/4885CYP2C19 4485/4885
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SOAT1, SLC7A1, ODC1 CYP1A2 2394/4885CYP2C9 979/4885CYP2C19 1577/4885

“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.