SCHEMBL4967002

SCHEMBL4967002

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 2/20 0.60
▸ KMT2A Q03164 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ CA12 O43570 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ EDNRA P25101 1/20 0.52
▸ PIK3CB P42338 1/20 0.51
▸ PFKFB4 Q16877 1/20 0.50
▸ TOP2A P11388 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ PSEN1 P49768 1/20 0.49
▸ PSEN2 P49810 1/20 0.49
▸ APH1B Q8WW43 1/20 0.49
▸ NCSTN Q92542 1/20 0.49
▸ APH1A Q96BI3 1/20 0.49
▸ PSENEN Q9NZ42 1/20 0.49
▸ HSD17B1 P14061 2/20 0.48

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
SCHEMBL4967813 0.86 KMT2A (0.70) PFKFB3KMT2APOLBCA12CA2
SCHEMBL12368208 0.81 KMT2A (0.67) PFKFB3KMT2APOLBCYP3A4CYP2D6
SCHEMBL788132 0.81 PFKFB3 (0.59) PFKFB3KMT2APOLBEDNRAPIK3CB
SCHEMBL926620 0.77 AAK1 (0.57) KMT2ANPC1CYP3A4MEN1LMNA
SCHEMBL787794 0.75 PKM (0.61) PFKFB3KMT2APOLBEDNRAPFKFB4
SCHEMBL794101 0.75 PFKFB3 (0.69) PFKFB3KMT2APOLBEDNRAPFKFB4
SCHEMBL21857663 0.75 PFKFB3 (1.00) PFKFB3KMT2APOLBPFKFB4
SCHEMBL7804115 0.75 CA2 (0.59) PFKFB3KMT2ANPC1CA12CA2
SCHEMBL15063697 0.74 PFKFB3 (0.59) PFKFB3KMT2APOLBEDNRAPFKFB4
SCHEMBL788401 0.74 EDNRA (0.53) PFKFB3KMT2APOLBEDNRAPFKFB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963287-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 — — EP disclosed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 — — US disclosed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 — — US disclosed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 — — US disclosed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 — — US disclosed
WO-2007065828-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 — — 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 (1 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-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents NR3C1, MC2R, NR3C2 PFKFB3 3462/4885KMT2A 4322/4885POLB 4531/4885

“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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