SCHEMBL9609049

SCHEMBL9609049

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.48
BIRC3 Q13489 7/20 0.48
BIRC2 Q13490 5/20 0.48
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL9608878 0.83 XIAP (0.56) XIAPBIRC3BIRC2
SCHEMBL3732542 0.82 TSHR (0.48) XIAPBIRC3BIRC2TSHR
SCHEMBL9609030 0.82 TSHR (0.48) XIAPBIRC3BIRC2TSHR
SCHEMBL3726598 0.80 ALDH1A1 (0.48) XIAPBIRC3BIRC2HTTALDH1A1
SCHEMBL9608970 0.80 ALDH1A1 (0.48) XIAPBIRC3BIRC2HTTALDH1A1
SCHEMBL9611884 0.79 XIAP (0.48) XIAPBIRC3BIRC2HTTTSHR
SCHEMBL13260045 0.78 XIAP (0.47) XIAPBIRC3BIRC2HTTTSHR
SCHEMBL9608875 0.78 TSHR (0.44) XIAPBIRC3BIRC2HTTTSHR
SCHEMBL3725327 0.78 TSHR (0.44) XIAPBIRC3BIRC2HTTTSHR
SCHEMBL2379581 0.77 XIAP (0.42) XIAPBIRC3BIRC2HTTTSHR

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
EP-2457896-A1 Tripeptides as caspase modulators 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 XIAP 141/4885BIRC3 222/4885BIRC2 259/4885

“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.