SCHEMBL22034395

SCHEMBL22034395

CC(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 1/20 0.63
▸ CTSK P43235 9/20 0.61
▸ CAPN1 P07384 1/20 0.60
▸ CAPN2 P17655 1/20 0.60
▸ CPB1 P15086 1/20 0.59
▸ CPB2 Q96IY4 1/20 0.59
▸ CTSS P25774 5/20 0.58
▸ CTSL P07711 3/20 0.58
▸ CTSB P07858 1/20 0.58
▸ FOLH1 Q04609 1/20 0.55

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
SCHEMBL22034396 1.00 NMBR (0.63) NMBRCTSKCAPN1CAPN2CPB1
SCHEMBL14067668 0.88 CTSK (0.77) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL18758793 0.87 CTSS (0.55) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL29360476 0.87 NMBR (0.57) NMBRCTSKCAPN1CAPN2CPB1
SCHEMBL6360713 0.87 SMN1; SMN2 (0.56) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL9358645 0.86 CTSL (0.58) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL22034521 0.85 CTSS (0.58) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL22034518 0.85 CTSS (0.58) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL1122463 0.85 CTSS (0.58) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL14433709 0.85 CTSS (0.58) CTSKCTSSCTSLCTSBFOLH1

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-20220024977-A1 PEPTIDOMIMETIC INHIBITORS OF B-CATENIN/TCF PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-01-27 — — US disclosed
WO-2020118179-A1 PEPTIDOMIMETIC INHIBITORS OF Β-CATENIN/TCF PROTEIN–PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-06-11 — — 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-20220024977-A1 PEPTIDOMIMETIC INHIBITORS OF B-CATENIN/TCF PROTEIN-PROTEIN INTERACTION CTNNB1, CTNNBL1, CTNND1 NMBR 3573/4885CTSK 2281/4885CAPN1 1900/4885

“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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