SCHEMBL3582010

SCHEMBL3582010

CS(=O)(=O)Nc1[c]cccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
CCR2 P41597 1/20 0.40
KEAP1 Q14145 1/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 2/20 0.38
MMP2 P08253 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MEN1 O00255 2/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 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
SCHEMBL157836 0.75 KEAP1 (0.47) KMT2AKEAP1ALDH1A1HPGDHSD17B10
SCHEMBL21408573 0.73 KEAP1 (0.44) KEAP1MCL1ALDH1A1HPGDKDM4E
SCHEMBL11682080 0.72 FABP4 (0.51) KMT2AALDH1A1HPGDKDM4EALOX15
SCHEMBL220059 0.72 KMT2A (0.72) KMT2ACCR2MCL1ALDH1A1HPGD
Phthalic Acid SCHEMBL28283849 0.69 ALDH1A1 (0.70) KMT2AALDH1A1HPGDHSD17B10KDM4E
SCHEMBL753675 0.69 ALDH1A1 (0.48) KMT2AALDH1A1HPGDHSD17B10KDM4E
SCHEMBL692395 0.68 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10KDM4EALOX15
SCHEMBL1917217 0.68 HTT (0.44) KMT2AMCL1ALDH1A1HPGDHSD17B10
SCHEMBL1835415 0.68 KMT2A (0.66) KMT2ACCR2MCL1ALDH1A1HPGD
SCHEMBL27396813 0.68 KMT2A (0.57) KMT2ACCR2KEAP1MCL1ALDH1A1

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-8071621-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-20100029717-A1 Alkylsulphonamide Quinolines SIMPSON THOMAS 2010-02-04 US disclosed
US-7608628-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2009-10-27 US disclosed
CN-101370782-A Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2009-02-18 CN disclosed
US-20080293765-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1968944-A1 ALKYLSULPHONAMIDE QUINOLINES AstraZeneca AB (SE) 2008-09-17 EP disclosed
US-20080021062-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-01-24 US disclosed
WO-2007069977-A1 ALKYLSULPHONAMIDE QUINOLINES ASTRAZENECA AB (SE) 2007-06-21 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-20080021062-A1 Alkylsulphonamide Quinolines RECQL, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KMT2A 608/4885CCR2 1692/4885KEAP1 2227/4885
US-20080293765-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR KMT2A 966/4885CCR2 1791/4885KEAP1 2020/4885
US-20100029717-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR KMT2A 966/4885CCR2 1791/4885KEAP1 2020/4885

“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.