SCHEMBL26403878

SCHEMBL26403878

CC(=O)N(C)CCNC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(Cc1cnc[nH]1)NC(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 8/20 0.43
▸ ESR1 P03372 4/20 0.41
▸ ESR2 Q92731 3/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ SLC15A2 Q16348 1/20 0.40
▸ APLNR P35414 3/20 0.40
▸ CAPN1 P07384 1/20 0.39
▸ TFPI P10646 1/20 0.39

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
SCHEMBL15744687 0.88 APLNR (0.40) APLNRCAPN1
SCHEMBL15745525 0.82 APLNR (0.36) GRPRAPLNR
SCHEMBL26403817 0.82 MMP3 (0.42) GRPRESR1ESR2SLC15A2APLNR
SCHEMBL19084162 0.82 APLNR (0.36) APLNRCAPN1
SCHEMBL13624749 0.78 CTSS (0.48) CAPN1
SCHEMBL14399315 0.78 CTSS (0.48) CAPN1
SCHEMBL2623712 0.77 APLNR (0.40) APLNRCAPN1
SCHEMBL18672489 0.76 ESR1 (0.52) ESR1ESR2SLC15A2
SCHEMBL14439383 0.73 CTSS (0.43) CAPN1
SCHEMBL15185930 0.72 GRPR (0.50) GRPRSLC15A2

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-11780833-B2 Emetine derivatives, prodrugs containing same, and methods of treating conditions using same HOWARD UNIVERSITY (US) 2023-10-10 — — 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-11780833-B2 Emetine derivatives, prodrugs containing same, and methods of treating conditions using same EML4, MCL1, ERAP2 GRPR 2713/4885ESR1 27/4885ESR2 14/4885

“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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