SCHEMBL13094797

SCHEMBL13094797

C#CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.46
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ CTSS P25774 4/20 0.44
▸ CTSL P07711 3/20 0.44
▸ CTSB P07858 3/20 0.44
▸ TNF P01375 1/20 0.44
▸ CTSK P43235 2/20 0.44
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL30792894 0.88 KMT2A (0.48) MDM4TP53
SCHEMBL17446719 0.87 PTPN1 (0.48) PTPN1HDAC1HDAC2CTSSCTSL
SCHEMBL29480443 0.86 CTSK (0.58) PTPN1CTSSCTSLCTSBCTSK
SCHEMBL17446669 0.84 HDAC1 (0.49) PTPN1HDAC1HDAC2TNF
SCHEMBL17446822 0.83 PTPN1 (0.45) PTPN1HDAC1HDAC2TNFMDM4
SCHEMBL30385094 0.82 PTPN1 (0.59) PTPN1HDAC1HDAC2TNF
SCHEMBL24235686 0.82 PTPN1 (0.54) PTPN1HDAC1HDAC2TNF
SCHEMBL23463497 0.82 TNF (0.51) PTPN1HDAC1HDAC2TNFMDM4
SCHEMBL12493153 0.81 MDM4 (0.57) MDM4TP53
SCHEMBL119859 0.81 MDM4 (0.57) MDM4TP53

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-20100261639-A1 TRIAZOLE-BASED AMINOGLYCOSIDE-PEPTIDE CONJUGATES AND METHODS OF USE UNIVERSITY OF MANITOBA (CA) 2010-10-14 — — 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-20100261639-A1 TRIAZOLE-BASED AMINOGLYCOSIDE-PEPTIDE CONJUGATES AND METHODS OF USE NRDC, ANPEP, DNPEP PTPN1 3688/4885HDAC1 1746/4885HDAC2 2164/4885

“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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