SCHEMBL25757671

SCHEMBL25757671

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 2/20 0.41
▸ CCKAR P32238 12/20 0.41
▸ CCKBR P32239 11/20 0.41
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ FAAH O00519 2/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ CTSB P07858 1/20 0.38

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
SCHEMBL25757530 0.88 CTSB (0.37) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25878219 0.86 CHRNB2 (0.47) CCKARCCKBRCHRNB2CHRNB4CHRNA3
SCHEMBL27274547 0.86 PSMB5 (0.42) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25878039 0.85 QRFPR (0.39) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25877962 0.83 CHRNB2 (0.44) CCKARCCKBRCHRNB2CHRNB4CHRNA3
SCHEMBL25877985 0.83 CHRNB2 (0.47) CCKARCCKBRCHRNB2CHRNB4CHRNA3
SCHEMBL26572532 0.83 CHRND (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24982484 0.83 FAAH (0.50) CHRNB2CHRNB4CHRNA3CHRNA4FAAH
SCHEMBL25000277 0.81 CHRNB2 (0.40) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25496961 0.80 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4FAAH

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 QRFPR 3125/4885CCKAR 876/4885CCKBR 1459/4885

“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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