SCHEMBL13260035

SCHEMBL13260035

O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 2/20 0.46
▸ BIRC3 Q13489 2/20 0.46
▸ BIRC2 Q13490 2/20 0.46
▸ TSHR P16473 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL3727517 1.00 XIAP (0.46) XIAPBIRC3BIRC2TSHRHPGD
SCHEMBL31159434 0.80 FABP5 (0.51) KMT2A
SCHEMBL799703 0.80 FABP5 (0.51) KMT2A
SCHEMBL3366299 0.80 FABP5 (0.51) KMT2A
Fluoride SCHEMBL7821537 0.79 FABP5 (0.50) KMT2A
SCHEMBL13259973 0.78 FABP5 (0.46) KMT2A
SCHEMBL16371245 0.76 HTT (0.42) XIAPBIRC3BIRC2TSHRHPGD
SCHEMBL27145258 0.76 HTT (0.42) XIAPBIRC3BIRC2TSHRHPGD
SCHEMBL28658103 0.76 HTT (0.42) XIAPBIRC3BIRC2TSHRHPGD
SCHEMBL31370144 0.76 FABP5 (0.49) ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.

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