SCHEMBL29588103

SCHEMBL29588103

O=[N+]([O-])c1ccc(S(=O)(=O)On2ccnn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 5/20 0.41
CA12 O43570 4/20 0.41
CA14 Q9ULX7 4/20 0.41
CA3 P07451 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
CA5B Q9Y2D0 3/20 0.41
HSP90AA1 P07900 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL29589075 0.81 ALDH1A1 (0.42) ALDH1A1MAPTCA1CA2CA9
SCHEMBL29589309 0.80 NOTUM (0.42) ALDH1A1MAPTCA1CA2CA9
SCHEMBL29225000 0.80 VDR (0.46) ALDH1A1CA1CA2CA9CA12
SCHEMBL29589411 0.80 PARL (0.46) ALDH1A1MAPTPARLMEN1KMT2A
SCHEMBL29589406 0.76 KMT2A (0.47) ALDH1A1MAPTCA1CA2MMP1
SCHEMBL3734126 0.74 PARL (0.47) ALDH1A1CA1CA2CA9CA12
SCHEMBL9986290 0.71 MMP2 (0.42) ALDH1A1MAPTCA1CA2CA9
SCHEMBL29488753 0.69 CA2 (0.59) ALDH1A1MAPTCA1CA2CA9
SCHEMBL997443 0.69 CA2 (0.59) ALDH1A1MAPTCA1CA2CA9
SCHEMBL2957966 0.69 PARL (0.62) ALDH1A1MAPTCA1CA2CA9

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-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
EP-3856164-B1 MORPHIC FORMS OF COMPLEMENT FACTOR D INHIBITORS ACHILLION PHARMACEUTICALS INC (US) 2024-08-07 EP disclosed
US-11807627-B2 Morphic forms of complement factor D inhibitors Achillon Pharmaceuticals, Inc. (US) 2023-11-07 US disclosed
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ALDH1A1 4838/4885MAPT 2925/4885CA1 4068/4885
US-11807627-B2 Morphic forms of complement factor D inhibitors CFD, CFH, CFB ALDH1A1 4444/4885MAPT 908/4885CA1 4405/4885
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF STXBP1, HBB, UPF1 ALDH1A1 4710/4885MAPT 3405/4885CA1 3497/4885
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC ALDH1A1 946/4885MAPT 3657/4885CA1 3223/4885

“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.