SCHEMBL25361276

SCHEMBL25361276

C=CCOC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCNC(c1ccccc1)(c1ccccc1)c1ccc(C)cc1)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.46
▸ GRB2 P62993 1/20 0.37
▸ SIRT1 Q96EB6 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ MDM2 Q00987 2/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.35

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
SCHEMBL25361270 1.00 PTPN1 (0.46) PTPN1GRB2SIRT1SIRT2MDM2
SCHEMBL30518584 0.92 PTPN1 (0.45) PTPN1GRB2SIRT1SIRT2MDM2
SCHEMBL31681574 0.88 MDM2 (0.45) SIRT1SIRT2MDM2SIRT5
SCHEMBL29649526 0.88 MDM2 (0.45) SIRT1SIRT2MDM2SIRT5
SCHEMBL25361716 0.88 PTPN1 (0.43) PTPN1GRB2SIRT1SIRT2
SCHEMBL25361722 0.88 PTPN1 (0.43) PTPN1GRB2SIRT1SIRT2
SCHEMBL29649620 0.84 PTPN1 (0.42) PTPN1GRB2SIRT1SIRT2MDM2
SCHEMBL29649613 0.84 PTPN1 (0.42) PTPN1GRB2SIRT1SIRT2MDM2
SCHEMBL22265232 0.83 PTPN1 (0.44) PTPN1GRB2MDM2SIRT5
SCHEMBL29649545 0.82 MAPT (0.51) PTPN1SIRT5

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-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 — — 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-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF NDC1, KIFC1, SDCBP PTPN1 754/4885GRB2 1083/4885SIRT1 2353/4885

“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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