SCHEMBL21497057

SCHEMBL21497057

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.68
▸ CA12 O43570 1/20 0.68
▸ CA9 Q16790 1/20 0.68
▸ CYP19A1 P11511 1/20 0.62
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ CA1 P00915 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ PGR P06401 1/20 0.55
▸ HTT P42858 1/20 0.54

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
SCHEMBL8248683 0.89 ALDH1A1 (0.65) CA2CYP19A1MEN1KMT2ALMNA
SCHEMBL16431026 0.86 PGR (0.64) CA2CYP19A1MEN1KMT2ACA1
SCHEMBL31441925 0.82 CA2 (0.68) CA2CA12CA9CYP19A1MEN1
SCHEMBL4948723 0.82 HTR6 (0.72) CA2CA12CA9MEN1KMT2A
SCHEMBL2243550 0.82 CA2 (0.68) CA2CA12CA9MEN1KMT2A
SCHEMBL11438518 0.82 CA2 (0.68) CA2CA12CA9MEN1KMT2A
SCHEMBL7808167 0.82 CA2 (0.68) CA2CA12CA9CYP19A1MEN1
SCHEMBL18739152 0.82 CA2 (0.68) CA2CA12CA9CYP19A1MEN1
SCHEMBL3615295 0.82 VCAM1 (0.59) CYP19A1MEN1KMT2AMAPTLMNA
SCHEMBL5230151 0.81 CES1 (0.73) CA2CA12CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 — — US disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 — — CN disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
US-11236044-B2 Selective inhibitors of 12(S)-lipoxygenase (12-LOX) and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-02-01 — — US disclosed
US-20210147348-A1 SELECTIVE INHIBITORS OF 12(S)- LIPOXYGENASE (12-LOX) AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-05-20 — — US disclosed
CN-112566898-A Selective inhibitors of 12(S) -lipoxygenase (12-LOX) and methods of use thereof 密歇根大学董事会 2021-03-26 — — CN disclosed
EP-3781548-A1 SELECTIVE INHIBITORS OF 12(S)-LIPOXYGENASE (12-LOX) AND METHODS FOR USE OF THE SAME The Regents Of The University Of Michigan (US) 2021-02-24 — — EP disclosed
WO-2019204375-A1 SELECTIVE INHIBITORS OF 12(S)-LIPOXYGENASE (12-LOX) AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-24 — — 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 (3 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-11236044-B2 Selective inhibitors of 12(S)-lipoxygenase (12-LOX) and methods for use of the same ALOX12, LOX, ALOX15 CA2 3935/4885CA12 3310/4885CA9 3464/4885
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CA2 2915/4885CA12 1813/4885CA9 1004/4885
US-20210147348-A1 SELECTIVE INHIBITORS OF 12(S)- LIPOXYGENASE (12-LOX) AND METHODS FOR USE OF THE SAME ALOX12, LOX, ALOX15 CA2 3935/4885CA12 3310/4885CA9 3464/4885

“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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