Sugi Predict

Sugi Predict / Compounds / SCHEMBL3433282

SCHEMBL3433282

SCHEMBL3433282

O=Cc1cccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.60
▸ CA9 Q16790 4/20 0.60
▸ CA2 P00918 2/20 0.60
▸ ACLY P53396 6/20 0.46
▸ RECQL P46063 1/20 0.46
▸ NAT1 P18440 1/20 0.46
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CA1 P00915 1/20 0.42

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
SCHEMBL10176172 0.89 CA12 (0.58) CA12CA9CA2ACLYRECQL
SCHEMBL422051 0.87 ACLY (0.54) CA12CA9CA2ACLYNAT1
SCHEMBL3558164 0.85 CA12 (0.78) CA12CA9CA2ACLYRECQL
SCHEMBL6117240 0.84 CA12 (0.55) CA12CA9CA2ACLYHDAC3
SCHEMBL425798 0.79 CA12 (0.58) CA12CA9CA2ACLYRECQL
SCHEMBL424638 0.78 RECQL (0.60) CA12CA9CA2ACLYRECQL
SCHEMBL428054 0.78 CA12 (0.57) CA12CA9CA2ACLYRECQL
SCHEMBL424565 0.77 CA12 (0.56) CA12CA9CA2ACLYRECQL
SCHEMBL10227479 0.76 DYRK1A (0.40) CA12CA9CA2NAT1ALDH1A1
SCHEMBL5716839 0.76 CA12 (0.55) CA12CA9CA2ACLYRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 — — US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 — — US disclosed
EP-2222659-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF The Ohio State University Research Foundation (US) 2010-09-01 — — EP disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 — — US disclosed
WO-2009070645-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF THE OHIO UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 — — WO disclosed
WO-2009070645-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF THE OHIO UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 — — WO disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 — — 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 CA12 4374/4885CA9 4149/4885CA2 4012/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 CA12 4715/4885CA9 4728/4885CA2 4552/4885

“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.