SCHEMBL980594

SCHEMBL980594

COC(=O)c1ccc(Br)c(OCCC(C)(C)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.45
MAPT P10636 4/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TTR P02766 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 1/20 0.37
CCR6 P51684 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
EGFR P00533 1/20 0.37
P4HB P07237 1/20 0.37
SMPD1 P17405 3/20 0.36

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
SCHEMBL979798 0.88 TSHR (0.43) CA12CA1CA2CA7CA9
SCHEMBL2802035 0.88 NOTUM (0.46) NOTUMMAPTCA12CA1CA2
SCHEMBL980319 0.85 NOTUM (0.52) NOTUMMAPTCA12CA1CA2
SCHEMBL2802155 0.83 NOTUM (0.52) NOTUMMAPTCA12CA1CA2
SCHEMBL3901339 0.82 MAPT (0.48) NOTUMMAPTCA12CA1CA2
SCHEMBL15994552 0.82 NOTUM (0.47) NOTUMMAPTCA12CA1CA2
SCHEMBL1344274 0.82 MAPT (0.50) NOTUMMAPTCA12CA1CA2
SCHEMBL4913133 0.82 NOTUM (0.47) NOTUMMAPTCA12CA1CA2
SCHEMBL17129512 0.81 NOTUM (0.42) NOTUMMAPTCA12CA1CA2
SCHEMBL14930286 0.81 ESR1 (0.52) NOTUMMAPTTDP1L3MBTL1RAB9A

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 19 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
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
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 (4 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 NOTUM 374/4885MAPT 981/4885CA12 4572/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 NOTUM 649/4885MAPT 1161/4885CA12 4487/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 NOTUM 649/4885MAPT 1161/4885CA12 4487/4885
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy PTGER1, SULT2A1, SULT1E1 NOTUM 954/4885MAPT 1012/4885CA12 4708/4885

“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.