SCHEMBL1246005

SCHEMBL1246005

O=C(O)Cc1cc(CCO)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.44
DAO P14920 3/20 0.39
RPS6KB2 Q9UBS0 2/20 0.38
TDP1 Q9NUW8 2/20 0.34
HSD17B10 Q99714 3/20 0.33
POLB P06746 2/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
AKR1B1 P15121 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RGS12 O14924 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
APEX1 P27695 1/20 0.32

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
SCHEMBL30571177 0.84 RPS6KB2 (0.49) LTB4RDAORPS6KB2TDP1HSD17B10
SCHEMBL5781426 0.84 LTB4R (0.43) LTB4RDAORPS6KB2HSD17B10HPGD
SCHEMBL28407935 0.80 LTB4R (0.40) LTB4RDAOTDP1MAPTKDM4E
SCHEMBL4671588 0.79 LTB4R (0.39) LTB4RDAORPS6KB2TDP1HSD17B10
SCHEMBL5818131 0.79 DAO (0.47) LTB4RDAORPS6KB2HSD17B10GABRA5
SCHEMBL4671697 0.79 LTB4R (0.39) LTB4RDAORPS6KB2TDP1HSD17B10
SCHEMBL7968906 0.78 ALDH1A1 (0.54) LTB4RHSD17B10HPGDMAPTMEN1
SCHEMBL27869621 0.77 CYP4F2 (0.50) DAOCYP4F2CYP4A11MAPTLMNA
SCHEMBL10717559 0.75 LTB4R (0.56) LTB4RDAORPS6KB2AKR1B1MAPT
SCHEMBL24345841 0.75 DAO (0.46) LTB4RDAOTDP1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102625808-B Spirocyclic amide derivatives ASTRAZENECA AB 2014-08-27 CN 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
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
CN-102625808-A Spirocyclic amide derivatives ASTRAZENECA AB 2012-08-01 CN disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP 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
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
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
WO-2010067102-A1 DIAZASPIRO [5.5] UNDECANE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC-RECEPTOR ANTAGONISTS AND BETA-ADRENORECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY DISORDERS ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
WO-2010067102-A1 DIAZASPIRO [5.5] UNDECANE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC-RECEPTOR ANTAGONISTS AND BETA-ADRENORECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY DISORDERS ASTRAZENECA AB (SE) 2010-06-17 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 (2 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 LTB4R 1345/4885DAO 1805/4885RPS6KB2 967/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 LTB4R 1345/4885DAO 1805/4885RPS6KB2 967/4885

“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.