SCHEMBL6343105

SCHEMBL6343105

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.44
▸ NQO2 P16083 1/20 0.44
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ KRAS P01116 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TUBB4A P04350 6/20 0.40
▸ TUBB P07437 6/20 0.40
▸ TUBA3C P0DPH7 6/20 0.40
▸ TUBA1B P68363 6/20 0.40
▸ TUBA4A P68366 6/20 0.40
▸ TUBB4B P68371 6/20 0.40
▸ TUBB3 Q13509 6/20 0.40
▸ TUBB2A Q13885 6/20 0.40
▸ TUBB8 Q3ZCM7 6/20 0.40
▸ TUBA3E Q6PEY2 6/20 0.40
▸ TUBA1A Q71U36 6/20 0.40
▸ TUBA1C Q9BQE3 6/20 0.40
▸ TUBB6 Q9BUF5 6/20 0.40

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
SCHEMBL7106623 0.87 TUBB4A (0.43) CA1CA2CA12CA9TUBB4A
SCHEMBL6351443 0.83 TUBB4A (0.47) CA1CA2KRASCA12CA9
SCHEMBL6346701 0.81 PTGS2 (0.51) KRASTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6590873 0.76 MEN1 (0.51) CA1CA2CA12CA9TUBB4A
SCHEMBL7465572 0.72 CA2 (0.47) CA1CA2KRASCA12CA9
SCHEMBL154427 0.72 ALDH1A1 (0.51) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL11496849 0.72 ALDH1A1 (0.42) CA1CA2KDM4EMEN1KMT2A
SCHEMBL31330205 0.72 RAPGEF4 (0.47) CA1CA2KDM4EMEN1KMT2A
SCHEMBL158166 0.72 RAPGEF4 (0.47) CA1CA2KDM4EMEN1KMT2A
SCHEMBL9307499 0.70 RAPGEF4 (0.46) CA1CA2CA12CA9KDM4E

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 CYP19A1 378/4885NQO2 583/4885CA1 2753/4885
US-20050187246-A1 Cell proliferation inhibitors MKI67, CCNI, CCNC CYP19A1 545/4885NQO2 335/4885CA1 3410/4885

“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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