SCHEMBL3159492

SCHEMBL3159492

CS(=O)(=O)OCCCOc1cccc2c1ccn2CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.61
PPARA Q07869 9/20 0.61
PPARD Q03181 8/20 0.56
MCL1 Q07820 5/20 0.48
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
BAD Q92934 1/20 0.43

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
SCHEMBL3180559 0.83 PPARG (0.65) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL4414532 0.80 HTR6 (0.41) PPARGPPARAPPARDMCL1
SCHEMBL5011220 0.78 PPARG (0.59) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL15157114 0.77 HTR2C (0.57) PPARGPPARAPPARD
SCHEMBL5009255 0.76 PPARG (0.55) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL5011219 0.76 PPARG (1.00) PPARGPPARAPPARDMCL1
SCHEMBL5006765 0.75 PPARG (0.56) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL5009245 0.74 PPARG (0.52) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL5009209 0.73 PPARG (0.54) PPARGPPARAPPARDMCL1NR1H2
SCHEMBL5009191 0.73 PPARG (0.54) PPARGPPARAPPARDMCL1NR1H2

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-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PPARG 1069/4885PPARA 1122/4885PPARD 1089/4885

“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.