SCHEMBL6724717

SCHEMBL6724717

COc1cc(C2=NCCc3ccc(Cl)cc32)ccc1NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.43
MAPK9 P45984 2/20 0.41
MAPK14 Q16539 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GAB1 Q13480 1/20 0.39
ACLY P53396 3/20 0.39
MAPK8 P45983 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
HTR6 P50406 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL6718026 0.91 CA1 (0.42) MAPK10MAPK9MAPK14CA1CA2
SCHEMBL6724728 0.86 MAPK10 (0.42) MAPK10MAPK9MAPK14CA1CA2
SCHEMBL6714932 0.83 GAB1 (0.42) MAPK10MAPK9MAPK14GAB1DRD2
SCHEMBL6714720 0.81 MAPK10 (0.54) MAPK10MAPK9MAPK14CA1CA2
SCHEMBL6718746 0.81 DRD2 (0.48) MAPK10MAPK9MAPK14CA1CA2
SCHEMBL7058476 0.80 MAPK10 (0.43) MAPK10MAPK9MAPK14CA1CA2
SCHEMBL6718884 0.78 MAPT (0.38) MAPK10CA1CA2CA7CA9
SCHEMBL6718763 0.78 MAPT (0.39) MAPK10CA1CA2CA7CA9
SCHEMBL6715044 0.78 PGR (0.42) CA1CA2CA7CA9CA14
SCHEMBL6718267 0.77 GAB1 (0.42) MAPK10MAPK9MAPK14CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 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 (1 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-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A MAPK10 1836/4885MAPK9 2308/4885MAPK14 2713/4885

“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.