SCHEMBL6255089

SCHEMBL6255089

Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(CCC(C)C)cc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
KMT2A Q03164 4/20 0.50
ESR1 P03372 1/20 0.49
CYP19A1 P11511 1/20 0.49
MEN1 O00255 3/20 0.47
HSPD1 P10809 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN5 P54829 1/20 0.47
HSPE1 P61604 1/20 0.47
ALDH1A1 P00352 6/20 0.45
LMNA P02545 5/20 0.45
THRB P10828 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
PTPRC P08575 1/20 0.44
TP53 P04637 2/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL6257664 0.87 ESR1 (0.52) MAPTSMN1; SMN2KMT2AESR1CYP19A1
SCHEMBL6252595 0.84 ESR1 (0.54) MAPTSMN1; SMN2KMT2AESR1CYP19A1
SCHEMBL8172861 0.76 MAPT (0.62) MAPTSMN1; SMN2KMT2AMEN1PTPN2
SCHEMBL8544817 0.73 GAA (0.53) MAPTKMT2AESR1CYP19A1MEN1
SCHEMBL6254000 0.72 MAPT (0.43) MAPTSMN1; SMN2KMT2AESR1CYP19A1
SCHEMBL8539408 0.72 MAPT (0.49) MAPTSMN1; SMN2KMT2AESR1CYP19A1
SCHEMBL1415269 0.72 MAPT (0.54) MAPTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL8539179 0.72 POLB (0.47) MAPTKMT2AESR1MEN1ALDH1A1
SCHEMBL22425029 0.70 KMT2A (0.84) MAPTSMN1; SMN2KMT2AESR1CYP19A1
SCHEMBL10586698 0.69 MEN1 (0.61) SMN1; SMN2KMT2AESR1CYP19A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959881-B1 SYNTHETIC METHODS FOR THE PREPARATION OF INDOLYLQUINONES AND MONO- AND BIS-INDOLYLQUINONES PREPARED THEREFROM SUGEN INC (US) 2005-09-21 EP disclosed
US-6750240-B2 FORMING 2,5-DIHYDROXY-3,6-DI(2-(3-METHYL-N-BUTYL)INDOL-3-YL)-1,4-QUINONE BY REACTING 2,3,5,6-TETRABROMO-1,4-BENZOQUINONE WITH 2-(3-METHYL-N-BUTYL)INDOLE IN PRESENCE OF CESIUM CARBONATE; ANTICANCER AGENTS SUGEN, INC. 2004-06-15 US disclosed
US-6660763-B2 Antiproliferative agents for disorders with GRB-2 adaptor protein function; treating diabetes, insulin resistance, insulin deficiency and insulin allergy SUGEN, INC. 2003-12-09 US disclosed
US-20030060635-A1 Methods of using bis-indolylquinones TANG PENG C (US) 2003-03-27 US disclosed
US-20020156116-A1 Bis-indolyquinone compounds TANG PENG CHO (US) 2002-10-24 US disclosed
EP-1218342-A2 MONO- AND BIS-INDOLYLQUINONES AND PROPHYLACTIC AND THERAPEUTIC USES THEREOF Sugen, Inc. (US) 2002-07-03 EP disclosed
US-6376529-B1 INSULIN DISEASES; ANTIDIABETIC AGENTS SUGEN, INC. 2002-04-23 US disclosed
US-20020016353-A1 Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions SUGEN INC. 2002-02-07 US disclosed
EP-0831809-A4 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS SUGEN INC (US) 2001-11-28 EP disclosed
US-6239161-B1 2,5-DIHYDROXY-3,6-DI-(INDOL-3-YL)-QUINONE DERIVATIVES; ANTICARCINOGENIC AND ANTIPROLIFERATIVE AGENTS SUGEN, INC. 2001-05-29 US disclosed
WO-2001021589-A2 MONO- AND BIS-INDOLYLQUINONES AND PROPHYLACTIC AND THERAPEUTIC USES THEREOF SUGEN, INC. (US) 2001-03-29 WO disclosed
US-6110957-A ANTITUMOR AGENT TREATING CELL PROLIFERATIVE DISORDERS SUCH AS CANCER, DYES, FUNGICIDES, BACTERICIDES SUGEN, INC. (US) 2000-08-29 US disclosed
US-6090838-A USING 2,5-BISINDOL-3-YL-1,4-QUINONE SUGEN, INC. (US) 2000-07-18 US disclosed
US-5786488-A DEHYDROBROMINATION OF A DIBROMOBENZOQUINONES WITH AT LEAST ONE INDOLES IN A POLAR SOLVENT AND A METAL CARBONATE TO FORM AN ANTITUMOR AGENT SUGEN, INC. (US) 1998-07-28 US disclosed
US-5780496-A Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions SUGEN, INC. (US) 1998-07-14 US disclosed
EP-0831809-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS Sugen, Inc. (US) 1998-04-01 EP disclosed
WO-1996040115-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS SUGEN, INC. (US) 1996-12-19 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 (3 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-20020156116-A1 Bis-indolyquinone compounds IRS1, GRK2, GID4 MAPT 3236/4885SMN1; SMN2 3861/4885KMT2A 2367/4885
US-20030060635-A1 Methods of using bis-indolylquinones IDO2, IDO1, IPO5 MAPT 1108/4885SMN1; SMN2 4791/4885KMT2A 1091/4885
US-20020016353-A1 Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions GRB2, NCK1, ABL1 MAPT 2850/4885SMN1; SMN2 2961/4885KMT2A 2070/4885

“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.