SCHEMBL6717804

SCHEMBL6717804

O=S(=O)(Nc1cccc(C2=NCCc3ccccc32)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
FFAR4 Q5NUL3 2/20 0.44
SERPINE1 P05121 1/20 0.43
CASP3 P42574 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
TP53 P04637 2/20 0.41
SLC22A12 Q96S37 1/20 0.41
MAPT P10636 2/20 0.40
SYK P43405 1/20 0.40
CYP19A1 P11511 1/20 0.40
ERAP1 Q9NZ08 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
RORC P51449 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6714868 0.90 CASP3 (0.43) DDB1CRBNFFAR4SERPINE1CASP3
SCHEMBL6716509 0.89 TP53 (0.49) DDB1CRBNFFAR4CASP3TP53
SCHEMBL7215335 0.89 FBP1 (0.44) DDB1CRBNFFAR4SERPINE1CASP3
SCHEMBL6714813 0.89 ERAP1 (0.46) DDB1CRBNFFAR4SERPINE1CASP3
SCHEMBL6716766 0.89 FBP1 (0.44) DDB1CRBNFFAR4SERPINE1CASP3
SCHEMBL7058928 0.85 SLC22A12 (0.49) DDB1CRBNSLC22A12MAPT
SCHEMBL6714905 0.83 UQCRB (0.51) MAPTERAP1CA1CA2LMNA
SCHEMBL6720428 0.83 PFKFB3 (0.53) MAPTSYKLMNA
SCHEMBL7209338 0.83 CA1 (0.45) FFAR4CA1CA2CA7CA9
SCHEMBL6714887 0.82 TSHR (0.50) FFAR4CASP3CA1CA2LMNA

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 DDB1 1589/4885CRBN 4807/4885FFAR4 3174/4885

“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.