SCHEMBL2802208

SCHEMBL2802208

COC(=O)c1ccc(Br)c(COCCC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.51
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
P4HB P07237 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
XDH P47989 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
PDK2 Q15119 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3180951 0.83 MAPT (0.48) NOTUMCCR6HKDC1P4HBCA12
SCHEMBL11894109 0.83 MAPT (0.46) NOTUMCA12CA1CA2CA7
SCHEMBL4774293 0.82 NOTUM (0.57) NOTUMCCR6HKDC1P4HBCA12
SCHEMBL980319 0.80 NOTUM (0.52) NOTUMCCR6HKDC1CA12CA1
SCHEMBL256771 0.80 NOTUM (0.50) NOTUMCCR6HKDC1P4HBCA12
SCHEMBL30622268 0.80 NOTUM (0.50) NOTUMCCR6HKDC1P4HBCA12
SCHEMBL979140 0.79 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4770444 0.78 NOTUM (0.49) NOTUMCCR6HKDC1P4HBCA12
SCHEMBL2802155 0.77 NOTUM (0.52) NOTUMCA12CA1CA2CA7
SCHEMBL29144717 0.77 NOTUM (0.54) NOTUMCCR6HKDC1P4HBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 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-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy PTGER1, SULT2A1, SULT1E1 NOTUM 954/4885CCR6 4226/4885HKDC1 3556/4885

“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.