SCHEMBL1246782

SCHEMBL1246782

CC(C)(C)[Si](C)(C)OCCSc1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.51
CYP2C9 P11712 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NR4A1 P22736 2/20 0.37
POLB P06746 2/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FOLH1 Q04609 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
LTB4R Q15722 2/20 0.36
KIF11 P52732 1/20 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
SCHEMBL9292939 0.80 PTGS2 (0.36) HSD17B10KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4741394 0.78 FOLH1 (0.46) KMT2AHTTSMN1; SMN2MRGPRX4NR4A1
SCHEMBL6489046 0.75 APEX1 (0.65) APEX1CYP2C9HSD17B10CYP1A2HPGD
SCHEMBL5341608 0.75 MRGPRX4 (0.52) SMN1; SMN2MRGPRX4RAB9AFOLH1ALDH1A1
SCHEMBL8335738 0.75 KMT2A (0.39) HSD17B10KMT2ANPC1RAB9AALDH1A1
SCHEMBL6477315 0.74 APEX1 (0.63) APEX1CYP2C9HSD17B10CYP1A2HPGD
SCHEMBL16344775 0.74 APEX1 (0.67) APEX1CYP2C9HSD17B10CYP1A2HPGD
SCHEMBL6461377 0.73 KMT2A (0.55) CYP2C9KMT2AMRGPRX4NR4A1POLB
SCHEMBL14097540 0.73 ALDH1A1 (0.47) CYP2C9HSD17B10CYP1A2HPGDKMT2A
SCHEMBL5315791 0.73 APEX1 (0.61) APEX1CYP2C9HSD17B10CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 APEX1 3442/4885CYP2C9 121/4885HSD17B10 1220/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 APEX1 4101/4885CYP2C9 22/4885HSD17B10 362/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 APEX1 3442/4885CYP2C9 121/4885HSD17B10 1220/4885

“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.