SCHEMBL29522978

SCHEMBL29522978

CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 4/20 0.37
▸ MAP1LC3B Q9GZQ8 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ PTPN1 P18031 3/20 0.35
▸ PDF Q9HBH1 1/20 0.34
▸ SIRT2 Q8IXJ6 3/20 0.34
▸ SIRT1 Q96EB6 2/20 0.34
▸ SIRT3 Q9NTG7 2/20 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
SCHEMBL13110590 0.94 HTR2A (0.40) FURINMAP1LC3BHTR2ASSTR3PTPN1
SCHEMBL29414597 0.94 HTR2A (0.40) FURINMAP1LC3BHTR2ASSTR3PTPN1
SCHEMBL12944195 0.94 HTR2A (0.40) FURINMAP1LC3BHTR2ASSTR3PTPN1
SCHEMBL29579452 0.94 HTR2A (0.40) FURINMAP1LC3BHTR2ASSTR3PTPN1
SCHEMBL19731720 0.94 HTR2A (0.40) FURINMAP1LC3BHTR2ASSTR3PTPN1
SCHEMBL12094377 0.94 HTR2A (0.40) FURINMAP1LC3BHTR2ASSTR3PTPN1
SCHEMBL13830646 0.94 HTR2A (0.40) FURINMAP1LC3BHTR2ASSTR3PTPN1
SCHEMBL2734925 0.94 HTR2A (0.40) FURINMAP1LC3BHTR2ASSTR3PTPN1
SCHEMBL16712824 0.93 HTR2A (0.38) HTR2ASSTR3PTPN1SIRT2SIRT1
SCHEMBL15691954 0.93 KMT2A (0.38) FURINMAP1LC3BHTR2ASSTR3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250281630-A1 PHARMACEUTICAL COMPOSITION FOR CANCER TREATMENT AND/OR PREVENTION TORAY INDUSTRIES, INC. (JP) 2025-09-11 — — US disclosed
EP-4400121-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING CANCER Toray Industries, Inc. (JP) 2024-07-17 — — EP disclosed
US-20230398232-A1 Composition and Use of Alternatively Formatted Anti-Mesothelin Antibodies for the Treatment of Cancer Navrogen, Inc. 2023-12-14 — — US disclosed
EP-4217009-A1 COMPOSITION AND USE OF ALTERNATIVELY FORMATTED ANTI-MESOTHELIN ANTIBODIES FOR THE TREATMENT OF CANCER Navrogen, Inc. (US) 2023-08-02 — — EP disclosed
CN-116390733-A Compositions and uses of alternative formatted anti-mesothelin antibodies for the treatment of cancer 纳夫罗根公司 2023-07-04 — — CN disclosed
WO-2023033129-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING CANCER 東レ株式会社 2023-03-09 — — WO disclosed
WO-2022067224-A1 COMPOSITION AND USE OF ALTERNATIVELY FORMATTED ANTI-MESOTHELIN ANTIBODIES FOR THE TREATMENT OF CANCER Navrogen, Inc. (US) 2022-03-31 — — WO disclosed
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