SCHEMBL1447795

SCHEMBL1447795

CC(=O)c1cccc(C(=O)O)c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ALOX15 P16050 2/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 3/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.42
HMGB1 P09429 2/20 0.42
NAPRT Q6XQN6 2/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 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
SCHEMBL1116170 0.89 ALDH1A1 (0.60) ALDH1A1ALOX15NR4A1NR4A2NR4A3
SCHEMBL28767283 0.86 CYP1A2 (0.46) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL11587413 0.83 ALDH1A1 (0.44) ALDH1A1ALOX15NR4A1NR4A2NR4A3
SCHEMBL11206826 0.81 PARP1 (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL1873518 0.80 KMT2A (0.41) ALDH1A1KDM4EHPGDHSD17B10PRNP
SCHEMBL2474723 0.78 THRB (0.52) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL9504 0.78 ALDH1A1 (0.61) ALDH1A1ALOX15NR4A1NR4A2NR4A3
SCHEMBL697650 0.78 BRPF1 (0.46) ALDH1A1KDM4EHPGDHSD17B10NAPRT
SCHEMBL11226966 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15NR4A1NR4A2NR4A3
SCHEMBL14296805 0.78 LMNA (0.50) ALDH1A1ALOX15KDM4EHSD17B10CA12

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 8 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-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
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 ALDH1A1 3832/4885ALOX15 445/4885NR4A1 75/4885
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions FCGR1A, FCGR2A, FCGR3B ALDH1A1 3832/4885ALOX15 445/4885NR4A1 75/4885
US-20060264484-A1 Fc receptor modulating compounds and compositions FCGR1A, FCGR2A, FCGR3B ALDH1A1 3593/4885ALOX15 506/4885NR4A1 108/4885

“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.