SCHEMBL976893

SCHEMBL976893

O=C(O)c1ccc(OCc2ccccc2)c(I)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.63
KLK1 P06870 1/20 0.57
NR4A2 P43354 2/20 0.57
NR4A1 P22736 1/20 0.57
NR4A3 Q92570 1/20 0.57
F2 P00734 1/20 0.56
PTGER1 P34995 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
RXRA P19793 3/20 0.54
RXRB P28702 2/20 0.54
RXRG P48443 1/20 0.54
HPGD P15428 1/20 0.54
MRGPRX4 Q96LA9 3/20 0.54

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
SCHEMBL16431953 0.88 NR4A2 (0.57) FFAR1NR4A2NR4A1NR4A3PTGER1
SCHEMBL977546 0.87 FFAR1 (0.59) FFAR1KLK1F2KMT2AHPGD
SCHEMBL1600077 0.85 MRGPRX4 (0.62) NR4A2NR4A1NR4A3PTGER1MEN1
SCHEMBL29556736 0.85 MRGPRX4 (0.62) NR4A2NR4A1NR4A3PTGER1MEN1
SCHEMBL13846224 0.84 FFAR1 (0.67) FFAR1KLK1F2PTGER1HPGD
Hydrochloric Acid SCHEMBL10857748 0.84 MRGPRX4 (0.61) NR4A2NR4A1NR4A3PTGER1MEN1
SCHEMBL1649243 0.83 FOLH1 (0.68) NR4A2NR4A1NR4A3PTGER1MEN1
SCHEMBL3965806 0.83 EGFR (0.64) NR4A2NR4A1NR4A3PTGER1MEN1
SCHEMBL27703695 0.81 MRGPRX4 (0.57) NR4A2NR4A1NR4A3PTGER1MEN1
SCHEMBL229472 0.81 MRGPRX4 (0.69) NR4A2NR4A1NR4A3PTGER1MEN1

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 12 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
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
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
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US 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
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US 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 FFAR1 121/4885KLK1 3407/4885NR4A2 2102/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 FFAR1 113/4885KLK1 3165/4885NR4A2 2117/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 FFAR1 113/4885KLK1 3165/4885NR4A2 2117/4885

“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.