SCHEMBL2282240

SCHEMBL2282240

C[C@H](Oc1ccc(Cl)cc1Sc1ccc(S(C)(=O)=O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
PTGDR2 Q9Y5Y4 8/20 0.36
HTT P42858 1/20 0.34
AVPR2 P30518 1/20 0.34
GPR27 Q9NS67 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 2/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL1333474 0.88 TSHR (0.39) SLC6A9SLC6A5TSHRHTR2AHTR2C
SCHEMBL1331691 0.86 TSHR (0.52) SLC6A9SLC6A5TSHRHTR2AHTR2C
SCHEMBL1333649 0.86 TSHR (0.52) SLC6A9SLC6A5TSHRHTR2AHTR2C
SCHEMBL1331693 0.86 TSHR (0.52) SLC6A9SLC6A5TSHRHTR2AHTR2C
SCHEMBL2281930 0.82 PTGDR2 (0.40) SLC6A9SLC6A5TSHRHTR2AHTR2C
SCHEMBL1333478 0.77 PTGDR2 (0.45) PTGDR2AVPR2GPR27
SCHEMBL1333476 0.77 PTGDR2 (0.48) PTGDR2HTT
SCHEMBL1331640 0.73 PTGDR2 (0.60) TSHRPTGDR2
SCHEMBL1333433 0.73 TSHR (0.50) SLC6A9SLC6A5TSHRHTR2AHTR2C
SCHEMBL2103120 0.72 TSHR (0.47) TSHRHTR2AHTR2CHTR2BPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 US 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 (1 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-20060293352-A1 Phenoxiacetic acid derivatives HRH2, HRH1, HCAR2 SLC6A9 3066/4885SLC6A5 2366/4885TSHR 655/4885

“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.