SCHEMBL25757530

SCHEMBL25757530

CCC(C)C(=O)N(C=O)CCCCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCOC(C)(C)CC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.37
▸ QRFPR Q96P65 2/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ OPRD1 P41143 6/20 0.35
▸ OPRM1 P35372 5/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ FAAH O00519 2/20 0.35
▸ PSMB5 P28074 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
SCHEMBL25757671 0.88 QRFPR (0.41) CTSBQRFPRCHRNB2CHRNB4CHRNA3
SCHEMBL25877836 0.86 QRFPR (0.36) CTSBQRFPRCHRNB2CHRNB4CHRNA3
SCHEMBL27274547 0.84 PSMB5 (0.42) CTSBQRFPRCHRNB2CHRNB4CHRNA3
SCHEMBL25878039 0.84 QRFPR (0.39) CTSBQRFPRCHRNB2CHRNB4CHRNA3
SCHEMBL25877902 0.84 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25877088 0.79 AKT1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL25976646 0.79 OPRM1 (0.42) CTSBCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25976319 0.79 OPRM1 (0.42) CTSBCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25878875 0.77 OPRD1 (0.39) CTSBCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27273997 0.77 PSMB5 (0.41) CTSBOPRD1OPRM1OPRK1FAAH

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-11685742-B2 Anti-tumor compound and preparation method and use thereof DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-06-27 — — 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-11685742-B2 Anti-tumor compound and preparation method and use thereof RCC2, REN, VHL CTSB 1659/4885QRFPR 3125/4885CHRNB2 4676/4885

“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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