SCHEMBL19003382

SCHEMBL19003382

NCCCC[C@H]1CN(C(=O)CCCN)CC(=O)N[C@@H](CCC(=O)O)CN(CC(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](CCCCN)CN(C(=O)CCC(=O)O)CC(=O)N[C@@H](Cc2ccccc2)CN(C(=O)CCc2ccccc2)CC(=O)N1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.66
EGFR P00533 2/20 0.61
PTGER2 P43116 2/20 0.55
NFKBIA P25963 1/20 0.43
AKT1 P31749 1/20 0.43
SSTR2 P30874 1/20 0.30
SSTR5 P35346 1/20 0.30

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
SCHEMBL19003320 0.98 EPHA2 (0.62) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL19003412 0.98 EPHA2 (0.62) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL19003318 0.98 EPHA2 (0.62) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL24158168 0.96 EPHA2 (0.61) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL23598453 0.91 EGFR (0.65) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL24548693 0.91 EGFR (0.65) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL19003389 0.91 EGFR (0.65) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL24548651 0.91 EGFR (0.64) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL19003323 0.87 PTGER2 (0.71) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL19003325 0.87 PTGER2 (0.71) EPHA2EGFRPTGER2NFKBIAAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220195524-A1 METHODS AND COMPOSITIONS FOR DIAGNOSIS AND MANAGEMENT OF NEURODEGERATIVE DISEASES UNIV SOUTH FLORIDA (US) 2022-06-23 US disclosed
US-11214835-B1 Methods and compositions for diagnosis and management of neurodegerative diseases UNIVERSITY OF SOUTH FLORIDA (US) 2022-01-04 US disclosed
US-20210198221-A1 GAS5 BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2021-07-01 US disclosed
WO-2017106505-A1 GAS5 BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2017-06-22 WO 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 (3 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-11214835-B1 Methods and compositions for diagnosis and management of neurodegerative diseases PSEN2, CLN6, PSEN1 EPHA2 2750/4885EGFR 3609/4885PTGER2 3674/4885
US-20210198221-A1 GAS5 BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF METTL16, ALKBH5, RBM25 EPHA2 2855/4885EGFR 1811/4885PTGER2 4087/4885
US-20220195524-A1 METHODS AND COMPOSITIONS FOR DIAGNOSIS AND MANAGEMENT OF NEURODEGERATIVE DISEASES PSEN2, CLN6, PSEN1 EPHA2 2750/4885EGFR 3609/4885PTGER2 3674/4885

“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.