SCHEMBL1448838

SCHEMBL1448838

COc1cccc2c(Cl)c(C(=O)Cl)sc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
F10 P00742 1/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
RAD52 P43351 1/20 0.39
PFKFB4 Q16877 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PFKFB3 Q16875 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 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
SCHEMBL5032108 0.88 MCL1 (0.51) KDM4ECYP1A2CYP3A4CYP2C9F10
SCHEMBL8412444 0.83 MAPT (0.52) KDM4ECYP1A2CYP3A4CYP2C9F10
SCHEMBL5038317 0.82 COMT (0.47) KDM4ECYP1A2CYP3A4CYP2C9F10
SCHEMBL6025170 0.79 MAPT (0.42) KDM4ECYP1A2CYP3A4CYP2C9MAPT
SCHEMBL11147963 0.79 ALDH1A1 (0.44) CYP1A2F10PFKFB4ALDH1A1PFKFB3
SCHEMBL1254438 0.76 MCL1 (0.40) CYP1A2CYP3A4F10ALDH1A1NPSR1
SCHEMBL16572848 0.76 MCL1 (0.40) KDM4EMAPTTDP1TP53ALDH1A1
SCHEMBL2897567 0.74 PFKFB4 (0.53) KDM4ECYP1A2CYP3A4CYP2C9MAPT
SCHEMBL1609773 0.73 STING1 (0.65) KDM4EF10MAPTMEN1KMT2A
SCHEMBL17127198 0.73 KDM4E (0.44) KDM4ECYP1A2CYP3A4CYP2C9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
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-20080146632-A1 Fc Receptor Modulating Compounds and Compositions TRILLIUM THERAPEUTICS, INC. (CA) 2008-06-19 US 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-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-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
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 2808/4885CYP1A2 1514/4885CYP3A4 849/4885
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions FCGR1A, FCGR2A, FCGR3B KDM4E 2808/4885CYP1A2 1514/4885CYP3A4 849/4885
US-20060264484-A1 Fc receptor modulating compounds and compositions FCGR1A, FCGR2A, FCGR3B KDM4E 3025/4885CYP1A2 1701/4885CYP3A4 828/4885

“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.