SCHEMBL4541122

SCHEMBL4541122

Cc1ccc(S(=O)(=O)OCCCN2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
MBTD1 Q05BQ5 1/20 0.45
CYP24A1 Q07973 2/20 0.42
HRH3 Q9Y5N1 5/20 0.42
CYP2D6 P10635 1/20 0.41
SLC6A4 P31645 1/20 0.40
HPGD P15428 1/20 0.40
KCNH2 Q12809 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
HTR1A P08908 1/20 0.39
PSMD10 O75832 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
SCHEMBL31579694 0.92 KMT2A (0.51) MEN1KMT2AL3MBTL1MBTD1CYP2D6
SCHEMBL4541119 0.90 MEN1 (0.47) MEN1KMT2AL3MBTL1MBTD1HRH3
SCHEMBL2489147 0.87 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1MBTD1CYP24A1
SCHEMBL2490457 0.85 L3MBTL1 (0.58) MEN1KMT2AL3MBTL1MBTD1HRH3
Hydrochloric Acid SCHEMBL9449150 0.83 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1MBTD1HRH3
SCHEMBL2489249 0.82 HRH3 (0.56) MEN1KMT2AHRH3CYP2D6KCNH2
SCHEMBL26655201 0.82 KDM4E (0.53) MEN1KMT2AL3MBTL1MBTD1CYP24A1
SCHEMBL9162804 0.80 L3MBTL1 (0.56) L3MBTL1MBTD1HRH3KCNH2
SCHEMBL3975042 0.79 L3MBTL1 (0.49) L3MBTL1MBTD1HRH3CYP2D6CA12
SCHEMBL10039971 0.79 CYP2D6 (0.49) MEN1KMT2AL3MBTL1MBTD1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
EP-1309587-B1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2008-12-31 EP disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 US disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-6887874-B2 Cinnoline compounds ASTRAZENECA AB (SE) 2005-05-03 US disclosed
US-20030212055-A1 Cinnoline compounds ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR MEN1 2314/4885KMT2A 3862/4885L3MBTL1 4868/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 MEN1 182/4885KMT2A 3184/4885L3MBTL1 4225/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 MEN1 2932/4885KMT2A 3636/4885L3MBTL1 897/4885

“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.