SCHEMBL3570130

SCHEMBL3570130

COc1ccc(Sc2c(C)c(CC(=O)O)c3ccc(F)cn23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.56
PTGDR Q13258 1/20 0.45
AKR1C3 P42330 6/20 0.44
AKR1C2 P52895 5/20 0.44
LMNA P02545 4/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C9 P11712 4/20 0.44
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
PMP22 Q01453 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 2/20 0.44
BLM P54132 1/20 0.44
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
AKR1B1 P15121 2/20 0.41
HIF1A Q16665 3/20 0.38
NFKB1 P19838 2/20 0.38

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
SCHEMBL3569716 0.89 PTGDR2 (0.45) PTGDR2PTGDRAKR1C3AKR1C2LMNA
SCHEMBL3567663 0.87 PTGDR2 (0.58) PTGDR2PTGDRAKR1C3AKR1C2AKR1B1
SCHEMBL2770201 0.84 PTGDR2 (0.75) PTGDR2PTGDRCYP1A2CYP2C9TSHR
SCHEMBL3573687 0.83 PTGDR2 (0.44) PTGDR2PTGDRAKR1C3AKR1C2LMNA
SCHEMBL3577547 0.83 PTGDR2 (0.65) PTGDR2PTGDRCYP2C9AKR1B1
SCHEMBL2769501 0.82 PTGDR2 (0.64) PTGDR2PTGDRTBXA2R
SCHEMBL3299837 0.81 PTGDR2 (0.53) PTGDR2PTGDRAKR1C3AKR1C2CYP1A2
SCHEMBL3332659 0.81 PTGDR2 (0.52) PTGDR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL2769764 0.81 PTGDR2 (0.57) PTGDR2PTGDRLMNAMAPT
SCHEMBL3299818 0.80 PTGDR2 (0.52) PTGDR2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US claimed
EP-2094266-A1 CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2009-09-02 EP claimed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 WO claimed
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
EP-2094266-A1 CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2009-09-02 EP disclosed
EP-2094266-A1 CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2009-09-02 EP disclosed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 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-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 PTGDR2 167/4885PTGDR 335/4885AKR1C3 3025/4885

“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.