SCHEMBL1069353

SCHEMBL1069353

COc1cc(C)c(S)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 4/20 0.44
HPGD P15428 3/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
FFAR4 Q5NUL3 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ACHE P22303 2/20 0.38
PTPN1 P18031 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.36

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
SCHEMBL26447159 0.85 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL4838392 0.80 RAPGEF4 (0.40) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL14975100 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL2633660 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL12326164 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL2955343 0.74 ALDH1A1 (0.56) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL13067432 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL282134 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL10932995 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL6028138 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3086791-A2 PHENAZINE DERIVATIVES AS ANTIMICROBIAL AGENTS University of Florida Research Foundation, Inc. (US) 2016-11-02 EP disclosed
EP-2917203-A1 PYRROL-1 -YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS Dana-Farber Cancer Institute, Inc. (US) 2015-09-16 EP disclosed
WO-2015100331-A2 PHENAZINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-07-02 WO disclosed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed
EP-2790697-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS University of Florida Research Foundation, Inc. (US) 2014-10-22 EP disclosed
WO-2014071247-A1 PYRROL-1 -YL BENZOIC ACID DERIVATES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-05-08 WO disclosed
WO-2013090750-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-06-20 WO disclosed
EP-2569019-A2 COMPOSITIONS, METHODS AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2013-03-20 EP disclosed
WO-2012075456-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-06-07 WO disclosed
WO-2011006088-A2 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-13 WO disclosed
WO-2010093918-A1 APOLIPOPROTEIN A-I MIMICS CERENIS THERAPEUTICS SA (FR) 2010-08-19 WO disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
CN-100475825-C Acyclic nucleoside phosphonate derivatives INST PHARM & TOXICOLOGY AMMS (CN) 2009-04-08 CN disclosed
WO-2008002849-A2 ARYL SULFONES NEUROGEN CORPORATION (US) 2008-01-03 WO disclosed
WO-2008002849-A2 ARYL SULFONES NEUROGEN CORPORATION (US) 2008-01-03 WO disclosed
WO-2007140383-A2 SPIROCYCLIC SULFONAMIDES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2007-12-06 WO disclosed
WO-2007140383-A2 SPIROCYCLIC SULFONAMIDES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2007-12-06 WO disclosed
EP-1674477-A2 Binding polypeptides for B lymphocyte stimulator protein (BLYS) Dyax Corp. (US) 2006-06-28 EP disclosed
CN-1670024-A Acyclic nucleoside phosphonate derivatives INST PHARM & TOXICOLOGY AMMS (CN) 2005-09-21 CN 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 (1 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-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A ALDH1A1 1731/4885CYP3A4 2714/4885HPGD 2919/4885

“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.