SCHEMBL5213325

SCHEMBL5213325

CC(C)(C)OC(=O)n1c(-c2cc(C(N)=O)c(NC(N)=O)s2)cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.51
NR1H3 Q13133 3/20 0.50
IKBKB O14920 1/20 0.49
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CHEK1 O14757 1/20 0.45

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
SCHEMBL17220660 0.75 NR1H2 (0.59) NR1H2NR1H3CA12CA9
SCHEMBL1928501 0.73 IKBKB (0.47) IKBKBJAK2JAK3CHEK1
SCHEMBL14367891 0.72 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL23380914 0.71 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL1929398 0.70 CHEK1 (0.50) IKBKBJAK2JAK3CHEK1
SCHEMBL7052335 0.70 IKBKB (0.72) IKBKBJAK2JAK3CHEK1
SCHEMBL5599682 0.69 NR1H2 (0.56) NR1H2NR1H3CA12CA9
SCHEMBL4554717 0.69 NR1H2 (0.60) NR1H2NR1H3CA12CA9
SCHEMBL26670152 0.69 NR1H2 (0.74) NR1H2NR1H3
SCHEMBL17220643 0.69 NR1H2 (0.74) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421079-B1 THIOPHENYL COMPOUNDS AS MEDICAMENTS ASTRAZENECA AB (SE) 2007-02-07 EP disclosed
US-7098240-B2 Compounds ASTRAZENECA AB (SE) 2006-08-29 US disclosed
US-20040235821-A1 Novel compounds ASTRAZENECA AB (SE) 2004-11-25 US 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-20040235821-A1 Novel compounds ABCG2, UGT1A1, SULT1E1 NR1H2 991/4885NR1H3 1183/4885IKBKB 2823/4885

“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.