SCHEMBL6714932

SCHEMBL6714932

O=S(=O)(Nc1cccc(C2=NCCc3ccc(Cl)cc32)c1)c1cc(S(=O)(=O)c2ccccc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAB1 Q13480 1/20 0.42
PGR P06401 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK10 P53779 4/20 0.38
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAPK9 P45984 1/20 0.37
MAPK14 Q16539 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HTR2C P28335 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL6718267 0.93 GAB1 (0.42) GAB1PGRALDH1A1HPGDHTT
SCHEMBL6718596 0.90 MEN1 (0.39) ALDH1A1HPGDHTTLMNAMEN1
SCHEMBL6714937 0.84 PGR (0.38) PGRALDH1A1HPGDHTTLMNA
SCHEMBL6718884 0.84 MAPT (0.38) GAB1PGRLMNAMEN1KMT2A
SCHEMBL6718763 0.84 MAPT (0.39) GAB1PGRHTTLMNAMEN1
SCHEMBL6724717 0.83 MAPK10 (0.43) GAB1MAPK10MAPK9MAPK14HTR2C
SCHEMBL6715044 0.82 PGR (0.42) PGR
SCHEMBL7121467 0.79 MAPK10 (0.39) LMNAMAPK10MAPK9MAPK14TP53
SCHEMBL6720449 0.79 PFKFB3 (0.48) PGRHTTLMNAMEN1KMT2A
SCHEMBL6717849 0.79 PGR (0.47) PGRALDH1A1HPGDLMNAMAPK10

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 GAB1 4528/4885PGR 3452/4885ALDH1A1 213/4885

“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.