SCHEMBL22748799

SCHEMBL22748799

O=[N+]([O-])c1cccc(OP(=O)(Oc2ccccc2)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPSR1 Q6W5P4 1/20 0.54
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
GPR17 Q13304 1/20 0.45
ACP3 P15309 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PGR P06401 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL21815508 0.86 L3MBTL1 (0.67) TDP1L3MBTL1MEN1KMT2ACA12
SCHEMBL548571 0.84 L3MBTL1 (0.63) TDP1L3MBTL1MEN1KMT2ACA12
SCHEMBL28574633 0.84 MEN1 (0.53) MEN1KMT2ANPSR1CA12CA1
SCHEMBL5487184 0.80 TSHR (0.57) TDP1MEN1KMT2ANPSR1CA1
SCHEMBL561190 0.78 L3MBTL1 (1.00) TDP1L3MBTL1MEN1KMT2ACA12
SCHEMBL1759204 0.78 CA1 (0.64) MEN1KMT2ANPSR1CA12CA1
SCHEMBL1759207 0.78 CA1 (0.64) MEN1KMT2ANPSR1CA12CA1
SCHEMBL6006252 0.78 CES2 (0.64) MEN1KMT2ANPSR1CA12CA1
SCHEMBL28033984 0.78 TSHR (0.53) TDP1MEN1KMT2ANPSR1LMNA
SCHEMBL4456862 0.75 ALDH1A1 (0.60) MEN1KMT2ALMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2026-05-21 US disclosed
US-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof INSTITUT CURIE (FR) 2026-01-20 US disclosed
US-20220233673-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2022-07-28 US disclosed
EP-3980057-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF Institut Curie (FR) 2022-04-13 EP disclosed
WO-2020245321-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2020-12-10 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 (2 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-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof STXBP1, RNGTT, UPF1 TDP1 3420/4885L3MBTL1 76/4885MEN1 1288/4885
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF STXBP1, HBB, UPF1 TDP1 3681/4885L3MBTL1 135/4885MEN1 1342/4885

“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.