SCHEMBL28529902

SCHEMBL28529902

O=C(NCC(C(=O)O)S(=O)(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
CASP3 P42574 4/20 0.50
EPHX2 P34913 1/20 0.47
MDM4 O15151 1/20 0.45
TP53 P04637 1/20 0.45
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TLR2 O60603 1/20 0.42

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
SCHEMBL30254873 1.00 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31010836 0.83 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29368747 0.83 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL2654395 0.83 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL1764428 0.83 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31714178 0.83 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31536519 0.83 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL800074 0.82 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL60494 0.82 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL3740743 0.82 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743118-A1 FUNCTIONALIZED AURISTATINS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS Surio Therapeutics Co. Ltd (CN) 2026-05-20 EP disclosed
WO-2025011557-A1 FUNCTIONALIZED AURISTATINS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS SURIO THERAPEUTICS CO. LTD (CN) 2025-01-16 WO disclosed
CN-112430243-B Method for preparing thioester compound 江西师范大学 2023-03-21 CN disclosed
CN-112430243-A Method for preparing thioester compound 江西师范大学 2021-03-02 CN disclosed