SCHEMBL424565

SCHEMBL424565

O=S(=O)(c1ccccc1)n1c(Cc2cccc(-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)c2)cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA9 Q16790 3/20 0.56
CA2 P00918 1/20 0.56
CTSL P07711 1/20 0.46
ACLY P53396 3/20 0.44
RECQL P46063 1/20 0.41
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
PPARD Q03181 2/20 0.41
NR1H2 P55055 1/20 0.41
CREBBP Q92793 1/20 0.40
BCL2 P10415 1/20 0.39
BID P55957 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL10176186 0.91 CA12 (0.52) CA12CA9CA2CTSLACLY
SCHEMBL10176320 0.90 CA12 (0.51) CA12CA9CA2CTSLACLY
SCHEMBL13790752 0.83 CA12 (0.44) CA12CA9CA2CTSLACLY
SCHEMBL6867245 0.82 CA12 (0.54) CA12CA9CA2RECQLPPARG
SCHEMBL3558164 0.82 CA12 (0.78) CA12CA9CA2ACLYRECQL
SCHEMBL28890855 0.78 NOD1 (0.55) CA12CA9CA2PPARGPPARA
SCHEMBL3433282 0.77 CA12 (0.60) CA12CA9CA2CTSLACLY
SCHEMBL425798 0.76 CA12 (0.58) CA12CA9CA2ACLYRECQL
SCHEMBL10176172 0.76 CA12 (0.58) CA12CA9CA2CTSLACLY
SCHEMBL428054 0.75 CA12 (0.57) CA12CA9CA2CTSLACLY

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 10 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
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
CN-101932569-A Indoles, its derivative and analogue and uses thereof UNIV OHIO STATE RES FOUND 2010-12-29 CN 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
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 US 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

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.