SCHEMBL19450704

SCHEMBL19450704

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.37
▸ GLO1 Q04760 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ CTSS P25774 2/20 0.34
▸ CTSK P43235 2/20 0.34
▸ PLK1 P53350 2/20 0.32
▸ CCKBR P32239 1/20 0.32
▸ GLP1R P43220 7/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.31

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
SCHEMBL22373639 0.95 CAPN1 (0.38) CAPN1GLO1NOD1BCHEACHE
SCHEMBL20998090 0.89 CAPN1 (0.33) CAPN1GLO1NOD1BCHEACHE
SCHEMBL19505993 0.88 CAPN1 (0.33) CAPN1GLO1NOD1BCHEACHE
SCHEMBL19506154 0.81 CTSS (0.37) CAPN1GLO1NOD1CTSSCTSK
SCHEMBL30019872 0.81 NOD1 (0.47) CAPN1NOD1GLP1R
SCHEMBL20998108 0.81 CTSK (0.41) CAPN1GLO1NOD1CTSSCTSK
SCHEMBL30019912 0.80 NOD1 (0.47) CAPN1NOD1GLP1R
SCHEMBL24235778 0.79 GLP1R (0.43) CAPN1NOD1GLP1R
SCHEMBL24235602 0.76 GLO1 (0.42) CAPN1GLO1NOD1CTSSCTSK
SCHEMBL30020812 0.75 GLP1R (0.46) CAPN1NOD1GLP1R

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-20170290925-A1 Conjugates And Conjugating Reagents POLYTHERICS LIMITED (GB) 2017-10-12 — — 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-20170290925-A1 Conjugates And Conjugating Reagents ANPEP, NGLY1, PCTP CAPN1 2310/4885GLO1 1668/4885NOD1 4282/4885

“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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