SCHEMBL6509909

SCHEMBL6509909

Cc1ccc(S(=O)(=O)OCC(C)(C)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.43
CA2 P00918 10/20 0.43
CA12 O43570 6/20 0.43
CA9 Q16790 6/20 0.43
STAT3 P40763 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ACACB O00763 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
EGFR P00533 1/20 0.38
P2RX7 Q99572 2/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL24391371 0.83 CA1 (0.43) CA1CA2CA12CA9STAT3
SCHEMBL791306 0.83 CA2 (0.56) CA1CA2CA12CA9STAT3
SCHEMBL5151560 0.83 STAT3 (0.42) CA1CA2CA12CA9STAT3
SCHEMBL22487941 0.82 CA2 (0.43) CA1CA2CA12CA9MEN1
SCHEMBL487585 0.81 CA1 (0.59) CA1CA2CA12CA9MEN1
SCHEMBL14552695 0.81 CA1 (0.43) CA1CA2CA12CA9STAT3
SCHEMBL30696745 0.80 CA1 (0.48) CA1CA2CA12CA9STAT3
SCHEMBL2822013 0.80 CA1 (0.60) CA1CA2CA12CA9ALDH1A1
SCHEMBL21531171 0.79 CA1 (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL4640090 0.79 CA1 (0.61) CA1CA2CA12CA9ALDH1A1

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CA1 4191/4885CA2 3170/4885CA12 4451/4885

“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.