SCHEMBL3571124

SCHEMBL3571124

COC(=O)[C@@H](C)c1c(C)c(Sc2ccc(S(C)(=O)=O)cc2)n2cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.46
PTGS2 P35354 6/20 0.37
PTGS1 P23219 2/20 0.37
FAAH O00519 1/20 0.35
KCNH2 Q12809 1/20 0.35
S1PR2 O95136 2/20 0.34
CYP2C9 P11712 1/20 0.34
AKR1B1 P15121 1/20 0.34
NR3C2 P08235 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL3569577 1.00 PTGDR2 (0.46) PTGDR2PTGS2PTGS1FAAHKCNH2
SCHEMBL3572900 0.90 PTGDR2 (0.50) PTGDR2PTGS2PTGS1FAAHKCNH2
SCHEMBL3571345 0.90 PTGDR2 (0.50) PTGDR2PTGS2PTGS1FAAHKCNH2
SCHEMBL2772862 0.80 PTGDR2 (0.60) PTGDR2PTGS2PTGS1FAAHKCNH2
SCHEMBL2770201 0.76 PTGDR2 (0.75) PTGDR2CYP2C9AKR1B1
SCHEMBL2771707 0.71 PTGDR2 (0.36) PTGDR2PTGS2PTGS1CYP2C9AKR1B1
SCHEMBL2774269 0.70 PTGDR2 (0.51) PTGDR2PTGS2CYP2C9
SCHEMBL2769501 0.69 PTGDR2 (0.64) PTGDR2
SCHEMBL3579992 0.67 PTGDR2 (0.48) PTGDR2
SCHEMBL3577547 0.67 PTGDR2 (0.65) PTGDR2CYP2C9AKR1B1

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-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
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 167/4885PTGS2 426/4885PTGS1 1072/4885

“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.