SCHEMBL31550501

SCHEMBL31550501

CCCN(CCC)CCCC[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)NCC(=O)NCOCC(F)(F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.42
▸ CASP3 P42574 2/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ PTPN1 P18031 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
SCHEMBL30983328 0.83 CASP3 (0.46) TLR2CASP3PTPN1
SCHEMBL30983329 0.83 CASP3 (0.46) TLR2CASP3PTPN1
SCHEMBL31550488 0.81 SIRT2 (0.49) TLR2SIRT2
SCHEMBL31191799 0.81 CASP3 (0.53) TLR2CASP3MDM2
SCHEMBL31550491 0.75 KMT2A (0.47) CASP3
SCHEMBL31550490 0.75 SIRT2 (0.53) SIRT2
SCHEMBL26923683 0.74 CASP3 (0.54) TLR2CASP3PTPN1
SCHEMBL20964457 0.73 TLR2 (0.54) TLR2CASP3MDM2
SCHEMBL16450234 0.72 CASP3 (0.59) TLR2CASP3MDM2
SCHEMBL31217980 0.72 CASP3 (0.54) CASP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250332272-A1 PREPARATION METHOD FOR DRUG LINKER CONJUGATE AND INTERMEDIATE THEREOF MEDILINK THERAPEUTICS SUZHOU CO LTD (CN) 2025-10-30 — — US disclosed
EP-4534104-A1 PREPARATION METHOD FOR DRUG LINKER CONJUGATE AND INTERMEDIATE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2025-04-09 — — EP 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-20250332272-A1 PREPARATION METHOD FOR DRUG LINKER CONJUGATE AND INTERMEDIATE THEREOF SI, PAICS, FURIN TLR2 2026/4885CASP3 4253/4885SIRT2 829/4885

“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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