SCHEMBL3572900

SCHEMBL3572900

Cc1c([C@@H](C)C(=O)O)c2ccc(F)cn2c1Sc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.50
CYP2C9 P11712 1/20 0.37
AKR1B1 P15121 1/20 0.37
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
FAAH O00519 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTGS2 P35354 5/20 0.34
PTGS1 P23219 2/20 0.34
AKR1C1 Q04828 1/20 0.32
S1PR2 O95136 1/20 0.32

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
SCHEMBL3571345 1.00 PTGDR2 (0.50) PTGDR2CYP2C9AKR1B1AKR1C3AKR1C2
SCHEMBL3569577 0.90 PTGDR2 (0.46) PTGDR2CYP2C9AKR1B1FAAHKCNH2
SCHEMBL3571124 0.90 PTGDR2 (0.46) PTGDR2CYP2C9AKR1B1FAAHKCNH2
SCHEMBL2770201 0.80 PTGDR2 (0.75) PTGDR2CYP2C9AKR1B1
SCHEMBL27734984 0.78 PTGDR2 (0.55) PTGDR2CYP2C9AKR1B1FAAHKCNH2
SCHEMBL2772862 0.76 PTGDR2 (0.60) PTGDR2CYP2C9AKR1B1FAAHKCNH2
SCHEMBL27734889 0.75 PTGDR2 (0.40) PTGDR2CYP2C9
SCHEMBL27734882 0.73 PTGS2 (0.35) PTGDR2CYP2C9AKR1B1AKR1C3PTGS2
SCHEMBL3577547 0.71 PTGDR2 (0.65) PTGDR2CYP2C9AKR1B1
SCHEMBL27735075 0.71 PTGDR2 (0.39) PTGDR2

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 167/4885CYP2C9 4722/4885AKR1B1 2286/4885

“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.