SCHEMBL21497034

SCHEMBL21497034

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
NFKBIA P25963 1/20 0.54
RELA Q04206 1/20 0.54
CA2 P00918 4/20 0.52
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
EIF2AK3 Q9NZJ5 1/20 0.49
DDX3X O00571 1/20 0.47
CA1 P00915 3/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL1970882 0.85 CRHBP (0.72) CRHBPCRHR2KMT2AMEN1TSHR
SCHEMBL31402302 0.81 KMT2A (0.59) KMT2AMEN1TSHRCA2CA12
SCHEMBL21497038 0.81 KMT2A (0.59) KMT2AMEN1TSHRCA2CA12
SCHEMBL21893366 0.80 CA2 (0.62) CRHBPCRHR2KMT2AMEN1TSHR
SCHEMBL3070697 0.76 CA2 (0.73) CRHBPCRHR2KMT2ANFKBIARELA
SCHEMBL29498571 0.75 TSHR (0.51) KMT2AMEN1TSHRCA2CA1
SCHEMBL19994887 0.75 TSHR (0.51) KMT2AMEN1TSHRCA2CA1
SCHEMBL11932398 0.75 CRHBP (0.61) CRHBPCRHR2KMT2AMEN1TSHR
SCHEMBL11872858 0.75 DDX3X (0.71) CRHBPCRHR2KMT2AMEN1TSHR
SCHEMBL163325 0.74 RECQL (0.69) CRHBPCRHR2KMT2AMEN1NFKBIA

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-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 (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-11236044-B2 Selective inhibitors of 12(S)-lipoxygenase (12-LOX) and methods for use of the same ALOX12, LOX, ALOX15 CRHBP 3927/4885CRHR2 3549/4885KMT2A 3523/4885
US-20210147348-A1 SELECTIVE INHIBITORS OF 12(S)- LIPOXYGENASE (12-LOX) AND METHODS FOR USE OF THE SAME ALOX12, LOX, ALOX15 CRHBP 3927/4885CRHR2 3549/4885KMT2A 3523/4885

“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.