SCHEMBL24158008

SCHEMBL24158008

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 2/20 0.56
▸ EGFR P00533 2/20 0.54
▸ EPHA2 P29317 2/20 0.51
▸ SSTR5 P35346 11/20 0.38
▸ SSTR2 P30874 10/20 0.38
▸ SSTR3 P32745 5/20 0.38
▸ NFKBIA P25963 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ SSTR4 P31391 8/20 0.37
▸ SSTR1 P30872 2/20 0.34
▸ OXTR P30559 1/20 0.34

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
SCHEMBL24158191 0.95 EPHA2 (0.53) PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL19003386 0.95 PTGER2 (0.53) PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL19003384 0.95 EGFR (0.58) PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL23598429 0.95 EGFR (0.58) PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL23598433 0.94 PTGER2 (0.58) PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL24157987 0.93 PTGER2 (0.61) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003326 0.92 EPHA2 (0.56) PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL23598624 0.91 EPHA2 (0.56) PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL24157890 0.91 PTGER2 (0.55) PTGER2EGFREPHA2SSTR5SSTR2
SCHEMBL19003383 0.91 PTGER2 (0.57) PTGER2EGFREPHA2SSTR5SSTR2

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-11214835-B1 Methods and compositions for diagnosis and management of neurodegerative diseases UNIVERSITY OF SOUTH FLORIDA (US) 2022-01-04 — — 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-11214835-B1 Methods and compositions for diagnosis and management of neurodegerative diseases PSEN2, CLN6, PSEN1 PTGER2 3674/4885EGFR 3609/4885EPHA2 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.

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