SCHEMBL6714930

SCHEMBL6714930

O=S(=O)(c1ccccc1)N(c1cccc(C2=NCCc3ccc(Cl)cc32)c1)S(=O)(=O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.38
MAPK14 Q16539 2/20 0.37
MAPK9 P45984 1/20 0.37
OPRK1 P41145 2/20 0.33
PDE4D Q08499 2/20 0.33
NR1I2 O75469 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
PTGS2 P35354 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NLRP3 Q96P20 1/20 0.33
NR3C1 P04150 1/20 0.33
CNR1 P21554 1/20 0.31
NTSR1 P30989 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRM1 P11229 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6718262 0.93 MAPK10 (0.39) MAPK10MAPK14MAPK9NR3C1ALDH1A1
SCHEMBL6718595 0.89 MAPK10 (0.36) MAPK10NLRP3NR3C1ALDH1A1PKM
SCHEMBL6718758 0.80 TSHR (0.37) MAPK10NLRP3NR3C1ALDH1A1PKM
SCHEMBL6781756 0.79 MAPK10 (0.41) MAPK10MAPK14MAPK9OPRK1PDE4D
SCHEMBL6715043 0.79 CA1 (0.37) MAPK10NLRP3NR3C1ALDH1A1SMN1; SMN2
SCHEMBL27601351 0.73 MAPK10 (0.52) MAPK10MAPK14MAPK9OPRK1PDE4D
SCHEMBL6718022 0.73 CA1 (0.41) MAPK10MAPK14MAPK9ALDH1A1PKM
SCHEMBL7174896 0.73 CA1 (0.39) MAPK10CHRM1SMN1; SMN2MEN1KMT2A
SCHEMBL28340992 0.72 MAPK10 (0.58) MAPK10MAPK14MAPK9OPRK1PDE4D
SCHEMBL6714932 0.71 GAB1 (0.42) MAPK10MAPK14MAPK9OPRK1PDE4D

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 1836/4885MAPK14 2713/4885MAPK9 2308/4885

“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.