SCHEMBL17072397

SCHEMBL17072397

CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.56
▸ MDM2 Q00987 5/20 0.49
▸ TLR2 O60603 2/20 0.46
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45

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
SCHEMBL12944387 0.91 CASP3 (0.55) CASP3MDM2TLR2
SCHEMBL29702562 0.91 CASP3 (0.55) CASP3MDM2TLR2
SCHEMBL29407920 0.91 CASP3 (0.55) CASP3MDM2TLR2
SCHEMBL13830553 0.91 CASP3 (0.55) CASP3MDM2TLR2
SCHEMBL31045201 0.91 CASP3 (0.55) CASP3MDM2TLR2
SCHEMBL13044089 0.91 CASP3 (0.55) CASP3MDM2TLR2
SCHEMBL13401540 0.91 CASP3 (0.55) CASP3MDM2TLR2
SCHEMBL3193169 0.91 CASP3 (0.55) CASP3MDM2TLR2
SCHEMBL29580018 0.91 CASP3 (0.55) CASP3MDM2TLR2
SCHEMBL21738585 0.90 CASP3 (0.57) CASP3MDM2TLR2MDM4TP53

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-20150250896-A1 HYDROPHILIC LINKERS AND THEIR USES FOR CONJUGATION OF DRUGS TO A CELL BINDING MOLECULES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2015-09-10 — — 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-20150250896-A1 HYDROPHILIC LINKERS AND THEIR USES FOR CONJUGATION OF DRUGS TO A CELL BINDING MOLECULES CD44, EPCAM, ABCG2 CASP3 2480/4885MDM2 1129/4885TLR2 4153/4885

“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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