SCHEMBL30781780

SCHEMBL30781780

CC(C)[C@H](NC(=O)CCNC(=O)[C@H](CCCCN(C(=O)O)C(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.38
▸ PTPN1 P18031 6/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ GRB2 P62993 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SIRT1 Q96EB6 2/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36

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
SCHEMBL27213364 1.00 TLR2 (0.38) TLR2PTPN1SIRT5TPSAB1MDM2
SCHEMBL30781796 0.91 TLR2 (0.46) TLR2PTPN1SIRT5TPSAB1CASP3
SCHEMBL13830419 0.85 CASP3 (0.45) TLR2PTPN1CASP3SIRT1SIRT2
SCHEMBL22387795 0.85 CASP3 (0.45) TLR2PTPN1CASP3SIRT1SIRT2
SCHEMBL13044093 0.85 CASP3 (0.45) TLR2PTPN1CASP3SIRT1SIRT2
SCHEMBL10066102 0.85 CASP3 (0.45) TLR2PTPN1CASP3SIRT1SIRT2
SCHEMBL31371875 0.85 CASP3 (0.45) TLR2PTPN1CASP3SIRT1SIRT2
SCHEMBL12944386 0.85 CASP3 (0.45) TLR2PTPN1CASP3SIRT1SIRT2
SCHEMBL84123 0.85 CASP3 (0.45) TLR2PTPN1CASP3SIRT1SIRT2
SCHEMBL29407919 0.85 CASP3 (0.45) TLR2PTPN1CASP3SIRT1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4548937-A1 ANTIBODY-DRUG COMPLEX Eisai R&D Management Co., Ltd. (JP) 2025-05-07 — — EP disclosed
US-20240148895-A1 ANTIBODY-DRUG CONJUGATE EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-05-09 — — US disclosed
WO-2024043319-A1 ANTIBODY-DRUG COMPLEX エーザイ・アール・アンド・ディー・マネジメント株式会社 2024-02-29 — — WO 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-20240148895-A1 ANTIBODY-DRUG CONJUGATE ANTXR2, FCGR1A, HAX1 TLR2 1069/4885PTPN1 1150/4885SIRT5 3214/4885

“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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