SCHEMBL26100889

SCHEMBL26100889

CC1(CCC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)N=N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ FOLH1 Q04609 2/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ ACE P12821 1/20 0.40
▸ ITGB3 P05106 6/20 0.40
▸ ITGA2B P08514 6/20 0.40
▸ ALB P02768 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ GLP1R P43220 3/20 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
SCHEMBL26100893 1.00 CAPN1 (0.46) CAPN1MEN1GAAKMT2AALDH1A1
SCHEMBL14673894 0.89 MEN1 (0.45) CAPN1MEN1GAAKMT2AALDH1A1
SCHEMBL28785323 0.87 CAPN1 (0.46) CAPN1MEN1GAAKMT2AALDH1A1
SCHEMBL26495909 0.87 CAPN1 (0.46) CAPN1MEN1GAAKMT2AALDH1A1
SCHEMBL31407837 0.83 MEN1 (0.56) CAPN1MEN1GAAKMT2AALDH1A1
SCHEMBL29796128 0.82 CAPN1 (0.50) CAPN1MEN1GAAKMT2AALDH1A1
SCHEMBL20122339 0.82 MEN1 (0.55) CAPN1MEN1GAAKMT2AALDH1A1
SCHEMBL22278239 0.81 MEN1 (0.53) MEN1GAAKMT2AALDH1A1ACE
SCHEMBL22278235 0.81 MEN1 (0.53) MEN1GAAKMT2AALDH1A1ACE
SCHEMBL30684511 0.81 MEN1 (0.58) CAPN1MEN1GAAKMT2AALDH1A1

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-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO 2023-05-04 — — US disclosed
EP-4031550-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS The University of Chicago (US) 2022-07-27 — — EP 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-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS PPIA, S100A4, S100A6 CAPN1 796/4885MEN1 3603/4885GAA 4005/4885

“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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