SCHEMBL6340685

SCHEMBL6340685

COc1ccc(S(=O)(=O)Oc2cc(OC)c(OC)c(OC)c2)cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
F2 P00734 3/20 0.51
PRSS1 P07477 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50

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
SCHEMBL2236652 0.85 CYP1A1 (0.54) CA1CA2CYP1A1CA12CA9
SCHEMBL11570182 0.85 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL11136224 0.84 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL11415982 0.82 ALDH1A1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL6344050 0.81 LMNA (0.58) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL2237499 0.81 CYP19A1 (0.51) CA1CA2F2PRSS1PRSS2
SCHEMBL6496116 0.80 CYP1A1 (0.52) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL19176406 0.78 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL6341347 0.77 TUBB4A (0.54) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL6343103 0.76 CYP19A1 (0.51) CA1CA2TUBB4ATUBBTUBA3C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187246-A1 Cell proliferation inhibitors LI QUN (US) 2005-08-25 US disclosed
US-6924304-B2 Cell proliferation inhibitors ABBOTT LABORATORIES (US) 2005-08-02 US disclosed
US-20030096856-A1 Cell proliferation inhibitors ABBVIE INC. 2003-05-22 US disclosed
US-6521658-B1 Cell proliferation inhibitors ABBOTT LABORATORIES 2003-02-18 US disclosed
EP-1181269-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
WO-2000073264-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2000-12-07 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 (2 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-20030096856-A1 Cell proliferation inhibitors MKI67, CCNI, CCNA1 CA1 2753/4885CA2 3385/4885MMP1 338/4885
US-20050187246-A1 Cell proliferation inhibitors MKI67, CCNI, CCNC CA1 3410/4885CA2 3387/4885MMP1 747/4885

“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.