SCHEMBL976438

SCHEMBL976438

COC(=O)c1ccc(C(=O)N(O)c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SLC2A1 P11166 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.44
ALPL P05186 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL12978245 0.82 HTT (0.61) ALDH1A1HPGDKDM4ESLC2A1CYP19A1
SCHEMBL12786086 0.82 HTT (0.55) ALDH1A1HPGDKDM4EHTTKMT2A
SCHEMBL17681583 0.77 HPGD (0.64) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL3029776 0.77 MKNK1 (0.63) TRPV1
SCHEMBL22983342 0.76 ALDH1A1 (0.65) ALDH1A1HPGDKDM4ESLC2A1CYP19A1
SCHEMBL29110276 0.75 ALDH1A1 (0.51) ALDH1A1HPGDSLC2A1CYP19A1CYP11B1
Methyl Nicotinate SCHEMBL24566 0.74 ALDH1A1 (1.00) ALDH1A1HPGDCYP19A1CYP11B1CYP11B2
Methyl Nicotinate SCHEMBL820747 0.74 ALDH1A1 (1.00) ALDH1A1HPGDCYP19A1CYP11B1CYP11B2
Methyl Nicotinate SCHEMBL29386553 0.74 ALDH1A1 (1.00) ALDH1A1HPGDCYP19A1CYP11B1CYP11B2
SCHEMBL8055781 0.74 ALDH1A1 (0.77) ALDH1A1HPGDKDM4ESLC2A1CYP19A1

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
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 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 (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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 ALDH1A1 122/4885HPGD 211/4885KDM4E 1469/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 ALDH1A1 85/4885HPGD 232/4885KDM4E 2765/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 ALDH1A1 85/4885HPGD 232/4885KDM4E 2765/4885

“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.