SCHEMBL9609030

SCHEMBL9609030

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
BIRC2 Q13490 14/20 0.44
XIAP P98170 12/20 0.43
BIRC3 Q13489 9/20 0.43
CASP9 P55211 1/20 0.42

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
SCHEMBL3732542 1.00 TSHR (0.48) TSHRBIRC2XIAPBIRC3CASP9
SCHEMBL3725327 0.89 TSHR (0.44) TSHRBIRC2XIAPBIRC3CASP9
SCHEMBL9608875 0.89 TSHR (0.44) TSHRBIRC2XIAPBIRC3CASP9
SCHEMBL9608878 0.85 XIAP (0.56) BIRC2XIAPBIRC3CASP9
SCHEMBL9608970 0.84 ALDH1A1 (0.48) BIRC2XIAPBIRC3
SCHEMBL3726598 0.84 ALDH1A1 (0.48) BIRC2XIAPBIRC3
SCHEMBL3798916 0.83 BIRC2 (0.51) TSHRBIRC2XIAPBIRC3
SCHEMBL3802214 0.82 XIAP (0.40) BIRC2XIAPBIRC3
SCHEMBL9609049 0.82 XIAP (0.48) TSHRBIRC2XIAPBIRC3
SCHEMBL3802217 0.81 ALDH1A1 (0.42) BIRC2XIAPBIRC3

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-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS TSHR 3117/4885BIRC2 259/4885XIAP 141/4885

“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.