SCHEMBL1333474

SCHEMBL1333474

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HTT P42858 1/20 0.38
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37

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
SCHEMBL1331691 0.89 TSHR (0.52) TSHRHTR2AHTR2CHTR2BHTT
SCHEMBL1331693 0.89 TSHR (0.52) TSHRHTR2AHTR2CHTR2BHTT
SCHEMBL1333649 0.89 TSHR (0.52) TSHRHTR2AHTR2CHTR2BHTT
SCHEMBL2282240 0.88 SLC6A9 (0.37) TSHRHTR2AHTR2CHTR2BHTT
SCHEMBL2281930 0.80 PTGDR2 (0.40) TSHRHTR2AHTR2CHTR2BHTT
SCHEMBL1333476 0.79 PTGDR2 (0.48) HTTPTGDR2
SCHEMBL1331640 0.76 PTGDR2 (0.60) TSHRPTGDR2MAPT
SCHEMBL1333433 0.76 TSHR (0.50) TSHRHTR2AHTR2CHTR2BHTT
SCHEMBL1333478 0.75 PTGDR2 (0.45) AVPR2GPR27PTGDR2MAPT
SCHEMBL3938428 0.74 PTGDR2 (0.40) AVPR2GPR27PTGDR2PKMMCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US disclosed
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 (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-20060293352-A1 Phenoxiacetic acid derivatives HRH2, HRH1, HCAR2 TSHR 655/4885HTR2A 75/4885HTR2C 119/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN TSHR 1766/4885HTR2A 265/4885HTR2C 325/4885

“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.