SCHEMBL23280889

SCHEMBL23280889

CCOC(=O)[C@@H](N)CCCCNC(=O)CCCCCN=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 4/20 0.43
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ HPSE Q9Y251 2/20 0.36
▸ SLC6A5 Q9Y345 2/20 0.36
▸ ALB P02768 1/20 0.36
▸ CASP2 P42575 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NAAA Q02083 1/20 0.34

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
SCHEMBL23695616 0.85 NOS1 (0.38) NOD1KMT2A
SCHEMBL13422874 0.84 NOD1 (0.58) NOD1GNAI3GNAO1GNAI1SLC6A5
SCHEMBL23280904 0.83 GAA (0.51) GAAKMT2AHPSECASP2FAAH
SCHEMBL15618211 0.83 OTC (0.49) NOD1ALB
SCHEMBL23280888 0.79 CAPN1 (0.44) KMT2AALB
SCHEMBL15483719 0.79 OTC (0.50) NOD1KMT2AALB
SCHEMBL17122488 0.77 CASP2 (0.56) SLC6A5CASP2FAAHL3MBTL1NAAA
SCHEMBL15058391 0.77 HPSE (0.41) HPSECASP2FAAHNAAA
Hydrochloric Acid SCHEMBL15528000 0.77 LTA4H (0.36) NOD1ALBCASP2DPP7
SCHEMBL16447237 0.76 NOD1 (0.49) NOD1KMT2A

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-20210228530-A1 TAXANE-LIPID-POLYSACCHARIDE DUAL CONJUGATES, PREPARATION METHODS THEREOF AND USES THEREOF SANTOLECAN PHARMACEUTICALS LLC 2021-07-29 — — US disclosed
EP-3812376-A1 PACLITAXEL-LIPID-POLYSACCHARIDE DUAL-TYPE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Santolecan Pharmaceuticals LLC (US) 2021-04-28 — — 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-20210228530-A1 TAXANE-LIPID-POLYSACCHARIDE DUAL CONJUGATES, PREPARATION METHODS THEREOF AND USES THEREOF DDOST, UGT2B17, UGT1A7 NOD1 1735/4885GAA 1528/4885KMT2A 3287/4885

“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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