SCHEMBL4125586

SCHEMBL4125586

C[C@@H](/C=C/c1cccc2c1cnn2-c1cncnc1)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.42
CYP11B2 P19099 4/20 0.37
CYP11B1 P15538 3/20 0.36
CYP17A1 P05093 2/20 0.35
CYP1A2 P05177 2/20 0.35
SCN9A Q15858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
PGR P06401 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
CCR1 P32246 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4125598 1.00 NR3C1 (0.42) NR3C1CYP11B2CYP11B1CYP17A1CYP1A2
SCHEMBL4125595 1.00 NR3C1 (0.42) NR3C1CYP11B2CYP11B1CYP17A1CYP1A2
SCHEMBL4119805 0.86 NR3C1 (0.44) NR3C1CYP17A1CYP1A2CYP3A4CYP2C9
SCHEMBL4119816 0.86 NR3C1 (0.44) NR3C1CYP17A1CYP1A2CYP3A4CYP2C9
SCHEMBL4119813 0.86 NR3C1 (0.44) NR3C1CYP17A1CYP1A2CYP3A4CYP2C9
SCHEMBL4126288 0.86 NR3C1 (0.44) NR3C1CYP17A1CYP1A2CYP3A4CYP2C9
SCHEMBL4126280 0.86 NR3C1 (0.44) NR3C1CYP17A1CYP1A2CYP3A4CYP2C9
SCHEMBL4118839 0.74 NR3C1 (0.50) NR3C1CYP11B2CYP11B1P2RX3P2RX2
SCHEMBL4118844 0.74 NR3C1 (0.50) NR3C1CYP11B2CYP11B1P2RX3P2RX2
SCHEMBL4112054 0.64 SCN9A (0.41) NR3C1CYP11B2CYP11B1CYP17A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-05-14 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-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases NR3C1, NR3C2, MC2R NR3C1 1/4885CYP11B2 23/4885CYP11B1 28/4885

“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.