SCHEMBL6351443

SCHEMBL6351443

COc1cc(S(=O)(=O)O)c(-c2ccc(N(C)C)cc2)c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 2/20 0.47
▸ TUBB P07437 2/20 0.47
▸ TUBA3C P0DPH7 2/20 0.47
▸ TUBA1B P68363 2/20 0.47
▸ TUBA4A P68366 2/20 0.47
▸ TUBB4B P68371 2/20 0.47
▸ TUBB3 Q13509 2/20 0.47
▸ TUBB2A Q13885 2/20 0.47
▸ TUBB8 Q3ZCM7 2/20 0.47
▸ TUBA3E Q6PEY2 2/20 0.47
▸ TUBA1A Q71U36 2/20 0.47
▸ TUBA1C Q9BQE3 2/20 0.47
▸ TUBB6 Q9BUF5 2/20 0.47
▸ TUBB2B Q9BVA1 2/20 0.47
▸ TUBB1 Q9H4B7 2/20 0.47
▸ KRAS P01116 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44

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
SCHEMBL7465572 0.86 CA2 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7106623 0.85 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6343105 0.83 CYP19A1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6346701 0.79 PTGS2 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6341345 0.76 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6590873 0.74 MEN1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4648778 0.68 CA12 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1888725 0.66 ALDH1A1 (0.51) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7269471 0.66 MAPT (0.46) TUBB1MAPTKMT2AALDH1A1MAPK1
SCHEMBL13297310 0.66 GSK3B (0.48) MAPTKMT2AMEN1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187246-A1 Cell proliferation inhibitors LI QUN (US) 2005-08-25 — — US claimed
US-20030096856-A1 Cell proliferation inhibitors ABBVIE INC. 2003-05-22 — — US claimed
EP-1181269-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2002-02-27 — — EP claimed
WO-2000073264-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2000-12-07 — — WO claimed
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

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 TUBB4A 299/4885TUBB 317/4885TUBA3C 1548/4885
US-20050187246-A1 Cell proliferation inhibitors MKI67, CCNI, CCNC TUBB4A 259/4885TUBB 244/4885TUBA3C 1476/4885

“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.

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