SCHEMBL22373639

SCHEMBL22373639

CCOC(C)(C)CCNC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)C(=O)NCCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.38
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ CAPN9 O14815 1/20 0.32
▸ GLO1 Q04760 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CTSL P07711 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSG P08311 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ CTSS P25774 2/20 0.31
▸ CTSK P43235 2/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ANPEP P15144 1/20 0.31
▸ DNPEP Q9ULA0 1/20 0.31
▸ PLK1 P53350 1/20 0.30

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
SCHEMBL19450704 0.95 CAPN1 (0.37) CAPN1GLO1BCHEACHENOD1
SCHEMBL20998090 0.85 CAPN1 (0.33) CAPN1GLO1BCHEACHENOD1
SCHEMBL19505993 0.84 CAPN1 (0.33) CAPN1GLO1BCHEACHENOD1
SCHEMBL19506154 0.78 CTSS (0.37) CAPN1GLO1NOD1CTSSCTSK
SCHEMBL30019872 0.77 NOD1 (0.47) CAPN1NOD1
SCHEMBL20998108 0.77 CTSK (0.41) CAPN1GLO1CTSLCTSBNOD1
SCHEMBL25977123 0.77 CAPN1 (0.43) CAPN1NMT2NMT1BCHEACHE
SCHEMBL30019912 0.77 NOD1 (0.47) CAPN1NOD1
SCHEMBL24235778 0.75 GLP1R (0.43) CAPN1NMT2NMT1NOD1
SCHEMBL20380968 0.74 ALDH1A1 (0.44) CAPN1LMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200268885-A1 Conjugates And Conjugating Reagents POLYTHERICS LIMITED (GB) 2020-08-27 — — 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-20200268885-A1 Conjugates And Conjugating Reagents ANPEP, NGLY1, PCTP CAPN1 2310/4885NMT2 532/4885NMT1 507/4885

“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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