SCHEMBL6715043

SCHEMBL6715043

O=S(=O)(c1ccccc1)N(c1ccc(C2=NCCc3ccc(Oc4ccccc4)cc32)cc1)S(=O)(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA7 P43166 5/20 0.37
CA9 Q16790 5/20 0.37
CA14 Q9ULX7 5/20 0.37
ABCB1 P08183 1/20 0.36
NR3C1 P04150 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
PGR P06401 4/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
NLRP3 Q96P20 1/20 0.33
MAPK10 P53779 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FFAR1 O14842 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
SCHEMBL6718758 0.87 TSHR (0.37) CA1CA2CA7CA9CA14
SCHEMBL7174896 0.80 CA1 (0.39) CA1CA2CA7CA9CA14
SCHEMBL6718595 0.79 MAPK10 (0.36) NR3C1ALDH1A1KMT2ANLRP3MAPK10
SCHEMBL6714930 0.79 MAPK10 (0.38) NR3C1ALDH1A1KMT2ANLRP3MAPK10
SCHEMBL6718022 0.74 CA1 (0.41) CA1CA2CA7CA9CA14
SCHEMBL6715044 0.74 PGR (0.42) CA1CA2CA7CA9CA14
SCHEMBL6718262 0.73 MAPK10 (0.39) CA1CA2CA7CA9CA14
SCHEMBL6715048 0.73 PGR (0.41) NR3C1PGRFFAR1
SCHEMBL6715022 0.73 MAOA (0.46) CA1CA2CA7CA9CA14
SCHEMBL6716736 0.72 MCL1 (0.46) CA1CA2CA7CA9CA14

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 CA1 3607/4885CA2 841/4885CA7 299/4885

“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.