SCHEMBL13626629

SCHEMBL13626629

CC(C)OC(=O)Cc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.46
TAS2R14 Q9NYV8 5/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
PTPN1 P18031 5/20 0.43
TSHR P16473 1/20 0.42
CNR2 P34972 1/20 0.42
NTRK1 P04629 2/20 0.41

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
SCHEMBL13399161 0.91 PTGER2 (0.56) PTGER2CA12CA1CA2CA4
SCHEMBL5042997 0.84 TAS2R14 (0.49) PTGER2TAS2R14CA12CA1CA2
SCHEMBL5134042 0.81 FFAR1 (0.53) TAS2R14CA12CA1CA2CA4
SCHEMBL13398755 0.81 PTGER2 (0.71) PTGER2TAS2R14CA12CA1CA2
SCHEMBL27547782 0.80 FFAR1 (0.47) TAS2R14CA12CA1CA2CA4
SCHEMBL13399398 0.80 PTGER2 (0.58) PTGER2CA12CA1CA2CA4
SCHEMBL13399316 0.79 TAS2R14 (0.48) PTGER2TAS2R14CA12CA1CA2
SCHEMBL4943884 0.79 CA12 (0.56) PTGER2CA12CA1CA2CA4
SCHEMBL5726867 0.78 TLR7 (0.45) CA12CA1CA2CA4CA9
SCHEMBL13398736 0.78 PTGER2 (0.51) PTGER2CA12CA1CA2CA4

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
US-7622475-B2 EP2 agonists PFIZER INC (US) 2009-11-24 US disclosed
US-7622475-B2 EP2 agonists PFIZER INC (US) 2009-11-24 US disclosed
US-20080045545-A1 EP2 AGONISTS PFIZER INC. 2008-02-21 US disclosed
US-20080045545-A1 EP2 AGONISTS PFIZER INC. 2008-02-21 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-20080045545-A1 EP2 AGONISTS PTGER2, PTGER1, PTGIR PTGER2 1/4885TAS2R14 2957/4885CA12 4207/4885

“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.