SCHEMBL1753809

SCHEMBL1753809

C[C@H](Oc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
PTGDR2 Q9Y5Y4 2/20 0.49
GAA P10253 3/20 0.48
MAPT P10636 1/20 0.48
CNR1 P21554 1/20 0.48
GPR35 Q9HC97 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL1753812 0.91 ALDH1A1 (0.53) MEN1KMT2APTGDR2MAPTL3MBTL1
SCHEMBL2102483 0.84 ABCB11 (0.57) MEN1KMT2APTGDR2GAAMAPT
SCHEMBL2617737 0.81 ENPP2 (0.46) MEN1KMT2ACNR1L3MBTL1ATM
SCHEMBL1753537 0.79 PTGDR2 (0.67) PTGDR2TSHR
SCHEMBL1753613 0.78 TSHR (0.52) PTGDR2GAATSHR
SCHEMBL1690331 0.78 TSHR (0.55) PTGDR2TSHR
SCHEMBL1991361 0.77 TSHR (0.51) PTGDR2TSHR
SCHEMBL2101852 0.74 L3MBTL1 (0.45) MEN1KMT2ACNR1L3MBTL1ATM
SCHEMBL2099475 0.74 ABCB11 (0.46) MEN1KMT2AGAAMAPTCNR1
SCHEMBL184997 0.74 PPARG (0.63) MEN1KMT2APTGDR2CNR1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US claimed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US claimed
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 MEN1 3390/4885KMT2A 1676/4885PTGDR2 438/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 MEN1 3390/4885KMT2A 1676/4885PTGDR2 438/4885

“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.