SCHEMBL2771707

SCHEMBL2771707

COC(=O)C(O)c1c(C)c(Sc2ccc(S(C)(=O)=O)cc2)n2ccc(Cl)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP2C9 P11712 1/20 0.33
AKR1B1 P15121 1/20 0.33
AVPR2 P30518 1/20 0.32
GPR27 Q9NS67 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.31

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
SCHEMBL2769558 0.82 PTGDR2 (0.40) PTGDR2MEN1ALDH1A1CYP2C19PPARG
SCHEMBL2769315 0.80 PTGDR2 (0.37) PTGDR2MEN1ALDH1A1CYP2C19PPARG
SCHEMBL2768893 0.78 PTGDR2 (0.50) PTGDR2CYP2C9AKR1B1
SCHEMBL3569577 0.71 PTGDR2 (0.46) PTGDR2CYP2C9AKR1B1PTGS2PTGS1
SCHEMBL3571124 0.71 PTGDR2 (0.46) PTGDR2CYP2C9AKR1B1PTGS2PTGS1
SCHEMBL2771224 0.70 FAAH (0.39) PTGDR2MEN1ALDH1A1CYP2C19PPARG
SCHEMBL4636153 0.69 L3MBTL1 (0.41) PTGDR2ALDH1A1CYP2C19KMT2ACYP2C9
SCHEMBL4635553 0.68 PTGDR2 (0.48) PTGDR2MEN1KMT2ACYP2C9AKR1B1
SCHEMBL2774837 0.65 PTGDR2 (0.40) PTGDR2ALDH1A1CYP2C19CYP2C9PTGS2
SCHEMBL2772075 0.65 PTGDR2 (0.38) PTGDR2ALDH1A1CYP2C9AKR1B1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910357-B1 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LTD (GB) 2010-04-14 EP disclosed
US-20090163534-A1 Indolizine Derivatives ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 US disclosed
EP-1910357-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-04-16 EP disclosed
WO-2006136859-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2006-12-28 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 (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-20090163534-A1 Indolizine Derivatives HRH4, HRH2, NR1H2 PTGDR2 363/4885MEN1 2811/4885ALDH1A1 3086/4885

“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.