SCHEMBL1246048

SCHEMBL1246048

O=C(O)Cc1cc(C(=O)O)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
SRD5A2 P31213 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.43
NR4A2 P43354 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CXCL8 P10145 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1B1 P15121 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA2 P00918 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
SCHEMBL9411180 0.85 PKM (0.47) TSHRALDH1A1MAPTMRGPRX4KMT2A
SCHEMBL16011692 0.82 TSHR (0.61) TSHRALDH1A1MAPTSRD5A2MRGPRX4
SCHEMBL13180335 0.82 TSHR (0.61) TSHRALDH1A1MAPTSRD5A2MRGPRX4
SCHEMBL5801989 0.81 ALDH1A1 (0.53) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL30400614 0.81 TSHR (0.59) TSHRALDH1A1MAPTSRD5A2MRGPRX4
SCHEMBL7450888 0.81 TSHR (0.59) TSHRALDH1A1MAPTSRD5A2MRGPRX4
SCHEMBL3267071 0.81 TSHR (0.59) TSHRALDH1A1MAPTSRD5A2MRGPRX4
SCHEMBL29497752 0.80 CXCL8 (0.57) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2578143 0.80 CXCL8 (0.57) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL5374764 0.80 APEX1 (0.57) TSHRALDH1A1MAPTSRD5A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102625808-B Spirocyclic amide derivatives ASTRAZENECA AB 2014-08-27 CN 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-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-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
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
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO 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 (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-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 TSHR 2016/4885ALDH1A1 102/4885MAPT 3010/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 TSHR 1318/4885ALDH1A1 264/4885MAPT 1487/4885

“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.