SCHEMBL6718758

SCHEMBL6718758

O=S(=O)(c1ccccc1)N(c1ccc(C2=NCCc3ccc(F)cc32)cc1)S(=O)(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ABCB1 P08183 1/20 0.35
MAPK10 P53779 2/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA7 P43166 5/20 0.34
CA9 Q16790 5/20 0.34
CA14 Q9ULX7 5/20 0.34
NLRP3 Q96P20 1/20 0.34
NR3C1 P04150 1/20 0.33
OXTR P30559 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
KLK1 P06870 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL6718595 0.91 MAPK10 (0.36) TSHRMAPK10MAPTNLRP3NR3C1
SCHEMBL6715043 0.87 CA1 (0.37) ABCB1MAPK10CA1CA2CA7
SCHEMBL7174896 0.83 CA1 (0.39) ABCB1MAPK10CA1CA2CA7
SCHEMBL6714930 0.80 MAPK10 (0.38) MAPK10NLRP3NR3C1ALDH1A1KMT2A
SCHEMBL6718262 0.75 MAPK10 (0.39) MAPK10CA1CA2CA7CA9
SCHEMBL6718022 0.74 CA1 (0.41) ABCB1MAPK10CA1CA2CA7
SCHEMBL2334077 0.73 MAPK10 (0.51) MAPK10PLGPLAUPLATKLK1
SCHEMBL6718763 0.72 MAPT (0.39) MAPK10MAPTCA1CA2CA7
SCHEMBL6718767 0.71 MAPT (0.36) MAPK10MAPTCA1CA2CA7
SCHEMBL7406251 0.70 PLG (0.41) MAPK10CA1CA2CA7CA9

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 TSHR 3790/4885ABCB1 1291/4885MAPK10 1836/4885

“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.