Sugi Predict

Sugi Predict / Compounds / SCHEMBL6342525

SCHEMBL6342525

SCHEMBL6342525

COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.68
▸ POLB P06746 1/20 0.68
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ TUBB4A P04350 2/20 0.60
▸ TUBB P07437 2/20 0.60
▸ TUBA3C P0DPH7 2/20 0.60
▸ TUBA1B P68363 2/20 0.60
▸ TUBA4A P68366 2/20 0.60
▸ TUBB4B P68371 2/20 0.60
▸ TUBB3 Q13509 2/20 0.60
▸ TUBB2A Q13885 2/20 0.60
▸ TUBB8 Q3ZCM7 2/20 0.60
▸ TUBA3E Q6PEY2 2/20 0.60
▸ TUBA1A Q71U36 2/20 0.60
▸ TUBA1C Q9BQE3 2/20 0.60
▸ TUBB6 Q9BUF5 2/20 0.60
▸ TUBB2B Q9BVA1 2/20 0.60
▸ TUBB1 Q9H4B7 2/20 0.60

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
SCHEMBL19581733 0.87 TUBB4A (0.72) ALDH1A1POLBKMT2AMEN1MAPK1
SCHEMBL19581732 0.87 TUBB4A (0.72) ALDH1A1POLBKMT2AMEN1MAPK1
SCHEMBL19581629 0.84 TUBB4A (0.67) ALDH1A1POLBKMT2AMEN1MAPK1
SCHEMBL17724626 0.84 TUBB4A (0.67) ALDH1A1POLBKMT2AMEN1MAPK1
SCHEMBL19581960 0.84 TUBB4A (0.67) ALDH1A1POLBKMT2AMEN1MAPK1
SCHEMBL17724892 0.84 TUBB4A (0.67) ALDH1A1POLBKMT2AMEN1MAPK1
SCHEMBL6343830 0.84 MEN1 (0.67) ALDH1A1POLBKMT2AMEN1MAPK1
SCHEMBL6341219 0.83 LMNA (0.79) ALDH1A1KMT2AMEN1MAPK1HTT
SCHEMBL17724605 0.81 TUBB4A (0.70) ALDH1A1POLBKMT2AMEN1MAPK1
SCHEMBL19581537 0.81 TUBB4A (0.70) ALDH1A1POLBKMT2AMEN1MAPK1

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 ALDH1A1 889/4885POLB 325/4885KMT2A 3949/4885
US-20050187246-A1 Cell proliferation inhibitors MKI67, CCNI, CCNC ALDH1A1 1166/4885POLB 237/4885KMT2A 3594/4885

“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.