SCHEMBL28510322

SCHEMBL28510322

C=CCOC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.51
▸ CASP3 P42574 2/20 0.49
▸ PTPN1 P18031 3/20 0.47
▸ MDM4 O15151 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CASP1 P29466 3/20 0.47
▸ TLR2 O60603 2/20 0.45
▸ EPHX2 P34913 1/20 0.44

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
SCHEMBL10173082 1.00 KMT2A (0.51) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL30471287 1.00 KMT2A (0.51) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL15280776 1.00 KMT2A (0.51) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL29401691 1.00 KMT2A (0.51) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL29398585 1.00 KMT2A (0.51) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL25359262 0.94 KMT2A (0.54) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL31144370 0.94 KMT2A (0.54) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL26008676 0.94 KMT2A (0.54) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL25359258 0.94 KMT2A (0.54) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL5061301 0.92 KMT2A (0.58) KMT2ACASP3MDM4TP53CASP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220226479-A1 CELL LAYER PERMEATION PROMOTER. COMPOSITION FOR FACILITATING DRUG ABSORPTION. AND PHARMACEUTICAL COMPOSITION UNIVERSITY OF TSUKUBA (JP) 2022-07-21 — — US disclosed
EP-3973990-A1 PROMOTOR FOR PERMEATION INTO CELL LAYER, COMPOSITION FOR FACILITATING DRUG AGENT ABSORPTION, AND PHARMACEUTICAL COMPOSITION University of Tsukuba (JP) 2022-03-30 — — EP disclosed
CN-112078205-A Fireproof aluminum-plastic composite board material and preparation method thereof 姚雪侠 2020-12-15 — — CN 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-20220226479-A1 CELL LAYER PERMEATION PROMOTER. COMPOSITION FOR FACILITATING DRUG ABSORPTION. AND PHARMACEUTICAL COMPOSITION ABCB11, ABCB1, SLC10A1 KMT2A 3401/4885CASP3 2986/4885PTPN1 4619/4885

“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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