SCHEMBL6715103

SCHEMBL6715103

O=S(=O)(Nc1ccc(C2=NCCc3cc(C(F)(F)F)ccc32)cc1)c1c(Cl)sc(Cl)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA7 P43166 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
MCL1 Q07820 3/20 0.34
MAPK10 P53779 1/20 0.34
SGK1 O00141 1/20 0.33
TP53 P04637 1/20 0.33
AVPR2 P30518 1/20 0.33
GPR27 Q9NS67 1/20 0.33
PTPN1 P18031 3/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 2/20 0.33
KIF11 P52732 1/20 0.32
HSPD1 P10809 2/20 0.32
PTPN2 P17706 2/20 0.32
PTPN5 P54829 2/20 0.32
HSPE1 P61604 2/20 0.32
MAPT P10636 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
SCHEMBL7210365 0.89 MAPK10 (0.42) CA1CA2CA7CA9CA14
SCHEMBL6718018 0.86 CA1 (0.40) CA1CA2CA7CA9CA14
SCHEMBL6721167 0.84 CA1 (0.36) CA1CA2CA7CA9CA14
SCHEMBL7210276 0.83 MAPK10 (0.40) CA1CA2CA7CA9CA14
SCHEMBL6724899 0.82 SGK1 (0.48) CA1CA2CA7CA9CA14
SCHEMBL6718367 0.81 CA1 (0.44) CA1CA2CA7CA9CA14
SCHEMBL6718834 0.81 SGK1 (0.47) CA1CA2CA7CA9CA14
SCHEMBL6724654 0.79 MAPK10 (0.43) CA1CA2CA7CA9CA14
SCHEMBL6718381 0.79 SGK1 (0.45) CA1CA2CA7CA9CA14
SCHEMBL6720526 0.78 THRB (0.52) PTPN1LMNATHRBHSPD1PTPN2

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.