SCHEMBL3174253

SCHEMBL3174253

CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA12 O43570 5/20 0.53
CA9 Q16790 5/20 0.53
SUCNR1 Q9BXA5 4/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
TBXA2R P21731 1/20 0.46
TBXAS1 P24557 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL917117 0.96 CA1 (0.54) CA1CA2CA12CA9SUCNR1
SCHEMBL4427701 0.92 PTPN1 (0.52) CA1CA2CA12CA9SUCNR1
SCHEMBL7810195 0.88 CA12 (0.67) CA1CA2CA12CA9SUCNR1
SCHEMBL916429 0.85 CA1 (0.53) CA1CA2CA12CA9SUCNR1
SCHEMBL4656567 0.84 S1PR1 (0.60) CA1CA2CA12CA9SUCNR1
SCHEMBL3608658 0.84 EPHX2 (0.62) CA1CA2CA12CA9EPHX2
SCHEMBL21068676 0.84 CA12 (0.66) CA1CA2CA12CA9SUCNR1
SCHEMBL8785731 0.84 CA1 (0.52) CA1CA2CA12CA9SIGMAR1
SCHEMBL20362129 0.83 CA1 (0.52) CA1CA2CA12CA9SUCNR1
SCHEMBL911463 0.83 CA12 (0.56) CA1CA2CA12CA9SUCNR1

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 CA1 1759/4885CA2 469/4885CA12 1123/4885

“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.