SCHEMBL19542133

SCHEMBL19542133

O=C(NC(CCS(=O)(=O)O)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.55
▸ MDM4 O15151 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ TLR2 O60603 2/20 0.54
▸ MDM2 Q00987 6/20 0.52
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL31538719 1.00 CASP3 (0.55) CASP3MDM4TP53TLR2MDM2
SCHEMBL29397986 0.90 CASP3 (0.60) CASP3MDM4TP53TLR2MDM2
SCHEMBL30802531 0.90 CASP3 (0.60) CASP3MDM4TP53TLR2MDM2
SCHEMBL3236374 0.90 CASP3 (0.60) CASP3MDM4TP53TLR2MDM2
SCHEMBL3673319 0.90 CASP3 (0.60) CASP3MDM4TP53TLR2MDM2
SCHEMBL3378520 0.90 CASP3 (0.60) CASP3MDM4TP53TLR2MDM2
SCHEMBL30232654 0.88 CASP3 (0.57) CASP3MDM4TP53MDM2KMT2A
SCHEMBL17798497 0.88 CASP3 (0.57) CASP3MDM4TP53MDM2KMT2A
SCHEMBL17798500 0.88 CASP3 (0.57) CASP3MDM4TP53MDM2KMT2A
SCHEMBL30298731 0.88 CASP3 (0.57) CASP3MDM4TP53MDM2KMT2A

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-20170313746-A1 Peptides Useful For Treating Cancer WARENIUS HILMAR M (GB) 2017-11-02 — — 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-20170313746-A1 Peptides Useful For Treating Cancer PARP1, PARP3, LNPEP CASP3 159/4885MDM4 1956/4885TP53 99/4885

“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.

Send feedback