SCHEMBL1447741

SCHEMBL1447741

O=C(O)c1cccc(Sc2ccccc2C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SIRT1 Q96EB6 1/20 0.53
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.50
RAB9A P51151 1/20 0.49
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
NSD2 O96028 1/20 0.45

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
SCHEMBL9314800 0.85 CYP1A2 (0.71) KDM4ETDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL8612788 0.85 SLC6A3 (0.49) KDM4ETDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL231042 0.84 SIRT1 (0.71) KDM4ETDP1ALDH1A1CYP1A2HPGD
SCHEMBL6934354 0.83 SIRT1 (0.53) KDM4ETDP1ALDH1A1CYP1A2SIRT1
SCHEMBL6778027 0.82 HPGD (0.70) ALDH1A1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL9624875 0.82 TDP1 (0.53) KDM4ETDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL232529 0.82 MEN1 (0.53) KDM4ETDP1ALDH1A1HPGDSIRT1
SCHEMBL11013368 0.82 SIRT1 (0.51) KDM4ETDP1ALDH1A1CYP1A2SIRT1
SCHEMBL8534213 0.82 SIRT1 (0.56) KDM4ETDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL8530243 0.82 MEN1 (0.53) KDM4ETDP1ALDH1A1CYP1A2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933142-B2 Low-extractable thioxanthones LAMBERTI SPA (IT) 2015-01-13 US disclosed
US-20130237628-A1 LOW-EXTRACTABLE THIOXANTHONES IGM RESINS ITALIA S.R.L. (IT) 2013-09-12 US disclosed
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
EP-1585745-A4 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS TRILLIUM THERAPEUTICS INC (CA) 2008-07-09 EP disclosed
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions TRILLIUM THERAPEUTICS, INC. (CA) 2008-06-19 US disclosed
US-7332631-B2 These compounds typically have a core lipophilic group, substituted with a group rich in pi -electrons, preferably having a delocalised pi -electron system; typically include at least one acidic group having a pi -electron system; Autoimmune diseases TRILLIUM THERAPEUTICS INC. (CA) 2008-02-19 US disclosed
US-20060264484-A1 Fc receptor modulating compounds and compositions THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2006-11-23 US disclosed
EP-1585745-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS Arthron Limited (AU) 2005-10-19 EP disclosed
US-20040152862-A1 Optical resins and applications thereof HITACHI CHEMICAL CO., LTD. (JP) 2004-08-05 US disclosed
WO-2004058747-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS ARTHRON LIMITED (AU) 2004-07-15 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-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS FCGR1A, FCGR2A, FCGR3B KDM4E 2808/4885TDP1 4642/4885ALDH1A1 3832/4885
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions FCGR1A, FCGR2A, FCGR3B KDM4E 2808/4885TDP1 4642/4885ALDH1A1 3832/4885
US-20060264484-A1 Fc receptor modulating compounds and compositions FCGR1A, FCGR2A, FCGR3B KDM4E 3025/4885TDP1 4473/4885ALDH1A1 3593/4885

“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.