SCHEMBL13399072

SCHEMBL13399072

CC(=O)CCc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 14/20 0.68
PTGER4 P35408 1/20 0.61
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA4 P22748 4/20 0.47
CA9 Q16790 4/20 0.47
NAMPT P43490 1/20 0.43

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
SCHEMBL5043097 0.92 PTGER2 (0.74) PTGER2PTGER4CA12CA1CA2
SCHEMBL5047969 0.91 PTGER2 (0.69) PTGER2PTGER4CA12CA1CA2
SCHEMBL13399154 0.88 PTGER2 (0.78) PTGER2PTGER4CA12CA1CA2
SCHEMBL13399301 0.86 PTGER2 (0.87) PTGER2PTGER4CA12CA1CA2
SCHEMBL27771930 0.85 PTGER2 (0.72) PTGER2PTGER4CA12CA1CA2
SCHEMBL5046726 0.83 PTGER2 (0.62) PTGER2PTGER4CA12CA1CA2
SCHEMBL13399034 0.82 PTGER2 (0.49) PTGER2PTGER4CA12CA1CA2
SCHEMBL5047921 0.82 PTGER2 (0.58) PTGER2PTGER4
SCHEMBL13398734 0.82 PTGER2 (0.54) PTGER2CA12CA1CA2CA4
SCHEMBL22107573 0.81 PTGER2 (0.76) PTGER2PTGER4CA12CA1CA2

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-20100105905-A1 EP2 Agonists PFIZER INC. 2010-04-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1/4885PTGER4 6/4885CA12 4207/4885
US-20100105905-A1 EP2 Agonists PTGER2, PTGER1, PTGIR PTGER2 1/4885PTGER4 6/4885CA12 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.