SCHEMBL24158191

SCHEMBL24158191

NCCCC[C@H]1CN(C(=O)Cc2ccccc2)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 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.53
▸ EGFR P00533 2/20 0.51
▸ PTGER2 P43116 2/20 0.51
▸ SSTR5 P35346 12/20 0.39
▸ SSTR2 P30874 10/20 0.39
▸ SSTR3 P32745 6/20 0.39
▸ SSTR4 P31391 9/20 0.38
▸ NFKBIA P25963 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ SSTR1 P30872 2/20 0.35
▸ 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
SCHEMBL24158008 0.95 PTGER2 (0.56) EPHA2EGFRPTGER2SSTR5SSTR2
SCHEMBL19003385 0.95 EPHA2 (0.57) EPHA2EGFRPTGER2SSTR5SSTR2
SCHEMBL19003386 0.94 PTGER2 (0.53) EPHA2EGFRPTGER2SSTR5SSTR2
SCHEMBL19003326 0.91 EPHA2 (0.56) EPHA2EGFRPTGER2SSTR5SSTR2
SCHEMBL23598624 0.90 EPHA2 (0.56) EPHA2EGFRPTGER2SSTR5SSTR2
SCHEMBL23598429 0.90 EGFR (0.58) EPHA2EGFRPTGER2SSTR5SSTR2
SCHEMBL19003384 0.90 EGFR (0.58) EPHA2EGFRPTGER2SSTR5SSTR2
SCHEMBL19003383 0.89 PTGER2 (0.57) EPHA2EGFRPTGER2SSTR5SSTR2
SCHEMBL23598433 0.89 PTGER2 (0.58) EPHA2EGFRPTGER2SSTR5SSTR2
SCHEMBL24157987 0.88 PTGER2 (0.61) 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 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 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.

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