SCHEMBL3148741

SCHEMBL3148741

CN1C(=O)[C@@H](NC(=O)O)CSc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.60
ACE P12821 4/20 0.48
MME P08473 3/20 0.48
XIAP P98170 1/20 0.45
PYGL P06737 2/20 0.43
PYGM P11217 2/20 0.43
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL3148748 1.00 RIPK1 (0.60) RIPK1ACEMMEXIAPPYGL
SCHEMBL21307374 0.83 RIPK1 (0.52) RIPK1ACEMMEXIAP
SCHEMBL12569080 0.83 RIPK1 (0.52) RIPK1ACEMMEXIAP
SCHEMBL8904285 0.81 CCKBR (0.59)
SCHEMBL8904289 0.81 CCKBR (0.59)
SCHEMBL17321242 0.80 RIPK1 (0.48) RIPK1ACEMMEXIAPPYGL
SCHEMBL3156878 0.80 XIAP (0.62) RIPK1ACEMMEXIAPF7
SCHEMBL3156873 0.80 XIAP (0.62) RIPK1ACEMMEXIAPF7
SCHEMBL21307329 0.79 RIPK1 (0.55) RIPK1XIAP
SCHEMBL17312889 0.79 RIPK1 (0.55) RIPK1XIAP

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
EP-2029596-B1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI AVENTIS (FR) 2010-02-24 EP disclosed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
EP-2029596-A2 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2009-03-04 EP disclosed
WO-2007135294-A2 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE 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-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF TPH2, CYP4B1, HTR3C RIPK1 4672/4885ACE 530/4885MME 858/4885

“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.