SCHEMBL6718338

SCHEMBL6718338

O=S(=O)(Nc1ccc(C2=NCCc3cc(C(F)(F)F)ccc32)cc1)c1ccccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSPT1 P15170 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
SLC22A12 Q96S37 4/20 0.46
ALPL P05186 3/20 0.46
PRF1 P14222 1/20 0.44
GSK3B P49841 1/20 0.41
IDH1 O75874 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
BCHE P06276 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL6718361 0.91 SLC22A12 (0.46) GSPT1DDB1CRBNSLC22A12ALPL
SCHEMBL6715085 0.89 SLC22A12 (0.48) GSPT1DDB1CRBNSLC22A12ALPL
SCHEMBL6718250 0.85 ALPL (0.47) GSPT1DDB1CRBNSLC22A12ALPL
SCHEMBL6723032 0.83 CA1 (0.48) DDB1CRBNGSK3BCA1CA2
SCHEMBL6724899 0.83 SGK1 (0.48) IDH1CA1CA2CA7CA9
SCHEMBL6716694 0.82 SLC22A12 (0.47) GSPT1DDB1CRBNSLC22A12ALPL
SCHEMBL6716965 0.82 GSPT1 (0.43) GSPT1DDB1CRBNIDH1CA1
SCHEMBL6718834 0.81 SGK1 (0.47) CA1CA2CA7CA9CA14
SCHEMBL6720526 0.81 THRB (0.52) PRF1MAPTNPSR1
SCHEMBL7058928 0.80 SLC22A12 (0.49) GSPT1DDB1CRBNSLC22A12ALPL

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 2 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

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 GSPT1 1717/4885DDB1 1589/4885CRBN 4807/4885

“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.