SCHEMBL23598624

SCHEMBL23598624

NCCCCC[C@H]1CN(C(=O)CCCN)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)N[C@@H](Cc2c[nH]c3ccccc23)CN(C(=O)CC2CC2)CC(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.56
▸ PTGER2 P43116 2/20 0.54
▸ EGFR P00533 2/20 0.54
▸ SSTR2 P30874 7/20 0.40
▸ SSTR5 P35346 7/20 0.40
▸ SSTR3 P32745 2/20 0.39
▸ NFKBIA P25963 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ SSTR4 P31391 4/20 0.38
▸ OXTR P30559 1/20 0.35

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
SCHEMBL19003326 0.99 EPHA2 (0.56) EPHA2PTGER2EGFRSSTR2SSTR5
SCHEMBL23598433 0.97 PTGER2 (0.58) EPHA2PTGER2EGFRSSTR2SSTR5
SCHEMBL19003384 0.96 EGFR (0.58) EPHA2PTGER2EGFRSSTR2SSTR5
SCHEMBL23598429 0.96 EGFR (0.58) EPHA2PTGER2EGFRSSTR2SSTR5
SCHEMBL19003385 0.95 EPHA2 (0.57) EPHA2PTGER2EGFRSSTR2SSTR5
SCHEMBL19003383 0.95 PTGER2 (0.57) EPHA2PTGER2EGFRSSTR2SSTR5
SCHEMBL24157890 0.93 PTGER2 (0.55) EPHA2PTGER2EGFRSSTR2SSTR5
SCHEMBL24157958 0.92 EPHA2 (0.48) EPHA2PTGER2EGFRSSTR2SSTR5
SCHEMBL19003386 0.92 PTGER2 (0.53) EPHA2PTGER2EGFRSSTR2SSTR5
SCHEMBL24157894 0.91 PTGER2 (0.54) EPHA2PTGER2EGFRSSTR2SSTR5

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-20210198221-A1 GAS5 BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2021-07-01 — — 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-20210198221-A1 GAS5 BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF METTL16, ALKBH5, RBM25 EPHA2 2855/4885PTGER2 4087/4885EGFR 1811/4885

“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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