SCHEMBL976853

SCHEMBL976853

CC(C)Oc1cc(C(=O)O)cnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.48
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KMT2A Q03164 1/20 0.42
KMO O15229 2/20 0.42
RXRA P19793 2/20 0.42
HCAR2 Q8TDS4 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
RXRB P28702 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
GCK P35557 2/20 0.38
EP300 Q09472 2/20 0.38
RARA P10276 1/20 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
SCHEMBL978405 0.84 MAPK1 (0.41) XDHKCNQ3KCNQ2RORC
SCHEMBL8883301 0.82 XDH (0.49) XDHKCNQ3KCNQ2KMT2AKMO
SCHEMBL978676 0.81 CA12 (0.52) HCAR2NAPRT
SCHEMBL2714328 0.79 TSHR (0.51) KMT2ADPP4PREPFAPDPP8
SCHEMBL7359867 0.78 XDH (0.46) XDHKCNQ3KCNQ2KMT2AKMO
SCHEMBL1458314 0.78 KMT2A (0.48) XDHKMT2AKMORXRARXRB
SCHEMBL404384 0.77 RORC (0.45) XDHKMT2AKMOHCAR2NAPRT
SCHEMBL1421009 0.76 PTGS2 (0.47) XDHKMT2A
SCHEMBL28721951 0.75 KCNQ3 (0.46) XDHKCNQ3KCNQ2KMORXRA
SCHEMBL1457797 0.73 TTR (0.46) KMT2AKMORXRARXRBMCL1

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 13 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
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 XDH 369/4885KCNQ3 2676/4885KCNQ2 2462/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 XDH 491/4885KCNQ3 2871/4885KCNQ2 2748/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 XDH 491/4885KCNQ3 2871/4885KCNQ2 2748/4885

“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.