SCHEMBL3915586

SCHEMBL3915586

CN1C(=O)[C@@H](NC(=O)O)CNc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 13/20 0.60
SCN9A Q15858 1/20 0.51
BRPF1 P55201 1/20 0.47
XIAP P98170 2/20 0.46
PYGL P06737 2/20 0.41
PYGM P11217 2/20 0.41
BRD4 O60885 1/20 0.40
NR1I2 O75469 1/20 0.39
CYP2C9 P11712 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
SCHEMBL4191956 1.00 RIPK1 (0.60) RIPK1SCN9ABRPF1XIAPPYGL
SCHEMBL4429111 0.83 SCN9A (0.65) RIPK1SCN9ABRPF1XIAPPYGL
SCHEMBL4423218 0.83 SCN9A (0.65) RIPK1SCN9ABRPF1XIAPPYGL
SCHEMBL9989170 0.81 RIPK1 (0.52) RIPK1SCN9ABRPF1XIAPPYGL
SCHEMBL9990232 0.80 RIPK1 (0.52) RIPK1SCN9ABRPF1XIAPPYGL
SCHEMBL9989198 0.78 RIPK1 (0.48) RIPK1SCN9ABRPF1XIAPPYGL
SCHEMBL15956793 0.76 RIPK1 (0.57) RIPK1SCN9AXIAPPYGLPYGM
SCHEMBL21307399 0.76 RIPK1 (1.00) RIPK1
SCHEMBL17312763 0.76 RIPK1 (0.71) RIPK1
SCHEMBL17312646 0.76 RIPK1 (1.00) RIPK1

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-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
EP-2029555-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2009-03-04 EP disclosed
WO-2007135295-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2007-11-29 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-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME CYP4B1, AADAC, ALKBH3 RIPK1 4874/4885SCN9A 3603/4885BRPF1 3735/4885

“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.