SCHEMBL1928600

SCHEMBL1928600

Cc1ccc(S(=O)(=O)OCCOc2ccccc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.49
MAPT P10636 6/20 0.49
RAB9A P51151 4/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
HTR7 P34969 2/20 0.45
TDP1 Q9NUW8 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
VDR P11473 1/20 0.42
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
HTR1A P08908 1/20 0.41
KMT2A Q03164 2/20 0.40

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
SCHEMBL9369968 0.84 L3MBTL1 (0.52) L3MBTL1MAPTRAB9AHPGDNPC1
SCHEMBL12453521 0.84 L3MBTL1 (0.55) L3MBTL1MAPTRAB9AHPGDCYP1A2
SCHEMBL1332113 0.83 L3MBTL1 (0.52) L3MBTL1MAPTRAB9AHPGDNPC1
SCHEMBL26987755 0.82 ALDH1A1 (0.58) L3MBTL1MAPTHPGDCYP1A2CYP2C9
SCHEMBL8875814 0.81 CA12 (0.44) L3MBTL1CA12CA1CA9HTR7
SCHEMBL5637449 0.81 HTR1B (0.48) HPGDCA12CA1CA9KDM4E
SCHEMBL5640238 0.80 CA12 (0.43) L3MBTL1MAPTCA12CA1CA9
SCHEMBL241884 0.79 CA1 (0.52) HPGDCYP1A2CYP2C9CYP2C19CA12
SCHEMBL1395593 0.79 CA12 (0.55) L3MBTL1RAB9ANPC1CA12CA1
SCHEMBL19326871 0.79 CA12 (0.42) L3MBTL1MAPTHPGDCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 L3MBTL1 4086/4885MAPT 2155/4885RAB9A 1662/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 L3MBTL1 4397/4885MAPT 2306/4885RAB9A 319/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 L3MBTL1 4086/4885MAPT 2155/4885RAB9A 1662/4885

“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.