SCHEMBL24548693

SCHEMBL24548693

NCCCC[C@H]1CN(C(=O)CCc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)CN(CC(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](Cc2ccccc2)CN(C(=O)CC2CC2)CC(=O)NC(Cc2ccccc2)CN(C(=O)CC2CC2)CC(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.65
PTGER2 P43116 2/20 0.64
EPHA2 P29317 2/20 0.60
NFKBIA P25963 1/20 0.40
AKT1 P31749 1/20 0.40
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR5 P35346 1/20 0.31
F10 P00742 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
SCHEMBL23598453 1.00 EGFR (0.65) EGFRPTGER2EPHA2NFKBIAAKT1
SCHEMBL19003389 1.00 EGFR (0.65) EGFRPTGER2EPHA2NFKBIAAKT1
SCHEMBL24548651 0.99 EGFR (0.64) EGFRPTGER2EPHA2NFKBIAAKT1
SCHEMBL24157885 0.96 PTGER2 (0.71) EGFRPTGER2EPHA2NFKBIAAKT1
SCHEMBL19003325 0.96 PTGER2 (0.71) EGFRPTGER2EPHA2NFKBIAAKT1
SCHEMBL19003414 0.96 PTGER2 (0.71) EGFRPTGER2EPHA2NFKBIAAKT1
SCHEMBL24158138 0.96 EGFR (0.61) EGFRPTGER2EPHA2NFKBIAAKT1
SCHEMBL19003327 0.96 PTGER2 (0.71) EGFRPTGER2EPHA2NFKBIAAKT1
SCHEMBL19003323 0.96 PTGER2 (0.71) EGFRPTGER2EPHA2NFKBIAAKT1
SCHEMBL23598434 0.94 PTGER2 (0.63) EGFRPTGER2EPHA2NFKBIAAKT1

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-20220195524-A1 METHODS AND COMPOSITIONS FOR DIAGNOSIS AND MANAGEMENT OF NEURODEGERATIVE DISEASES UNIV SOUTH FLORIDA (US) 2022-06-23 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-20220195524-A1 METHODS AND COMPOSITIONS FOR DIAGNOSIS AND MANAGEMENT OF NEURODEGERATIVE DISEASES PSEN2, CLN6, PSEN1 EGFR 3609/4885PTGER2 3674/4885EPHA2 2750/4885

“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.