SCHEMBL2104209

SCHEMBL2104209

CC(C)(C)C(Oc1ccc(Cl)cc1I)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
PPARA Q07869 7/20 0.40
PPARG P37231 5/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR Q13258 1/20 0.39
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1025381 0.82 ALDH1A1 (0.36) TSHRHTR2AHTR2CHTR2BPPARG
SCHEMBL1369990 0.82 PPARA (0.54) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL3345930 0.80 TSHR (0.69) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL2099802 0.80 TSHR (0.69) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL6002168 0.80 PPARG (0.41) PPARAPPARGMEN1KMT2AEDNRB
SCHEMBL2103123 0.79 PPARA (0.48) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL1368429 0.79 TSHR (0.43) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL1371338 0.78 KMT2A (0.40) PPARAPPARGKMT2AEDNRBEDNRA
SCHEMBL1025798 0.78 MEN1 (0.41) PTGDR2MAPTMEN1KMT2AHTT
SCHEMBL2112216 0.75 CTSA (0.39) TSHRHTR2AHTR2CHTR2BPPARA

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-8163727-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2012-04-24 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 (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 TSHR 655/4885HTR2A 75/4885HTR2C 119/4885

“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.