SCHEMBL977427

SCHEMBL977427

COC(=O)c1ccc2oc(C(C)OC(C)(C)C)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA1 P00915 1/20 0.42
XDH P47989 1/20 0.42
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
CREBBP Q92793 1/20 0.40
PSMB8 P28062 1/20 0.39
LCK P06239 1/20 0.39
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
PTPN11 Q06124 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL976859 0.86 TP53 (0.43) TP53THRBCA12CA2CA7
SCHEMBL13850427 0.83 TP53 (0.50) TP53POLBTHRBCA12CA2
SCHEMBL981580 0.76 TP53 (0.52) TP53POLBTHRBCA12CA2
SCHEMBL979485 0.75 TP53 (0.51) TP53POLBTHRBCA12CA2
SCHEMBL979350 0.75 PTGES (0.45) TP53CA12CA2CA9CA1
SCHEMBL6480262 0.75 TP53 (0.46) TP53POLBTHRBCA12CA2
SCHEMBL6091417 0.74 TP53 (0.55) TP53POLBTHRBCA12CA2
SCHEMBL979193 0.74 TP53 (0.50) TP53POLBTHRBCA12CA2
SCHEMBL25217434 0.73 TP53 (0.49) TP53POLBTHRBCA12CA2
SCHEMBL19029264 0.73 TP53 (0.51) TP53POLBTHRBCA12CA2

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 14 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-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
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 TP53 2963/4885POLB 2349/4885THRB 367/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 TP53 2337/4885POLB 2046/4885THRB 440/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 TP53 2337/4885POLB 2046/4885THRB 440/4885

“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.