SCHEMBL5046892

SCHEMBL5046892

O=C(O)CCc1cccc(CN(Cc2ccc(-c3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 10/20 0.57
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
TBXAS1 P24557 2/20 0.50
CYP11B1 P15538 1/20 0.49

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
SCHEMBL5046722 0.96 PTGER2 (0.59) PTGER2CA12CA1CA2CA4
SCHEMBL27547779 0.94 PTGER2 (0.55) PTGER2CA12CA1CA2CA4
SCHEMBL13398810 0.92 PTGER2 (0.53) PTGER2CA12CA1CA2CA4
SCHEMBL5043193 0.91 TAS2R14 (0.56) CA12CA1CA2CA4CA9
SCHEMBL5046568 0.91 PTGER2 (0.54) PTGER2CA12CA1CA2CA4
SCHEMBL5046576 0.90 PTGER2 (0.55) PTGER2CA12CA1CA2CA4
SCHEMBL5050266 0.90 TAS2R14 (0.49) PTGER2CA12CA1CA2CA4
SCHEMBL5046454 0.89 PTGER2 (0.55) PTGER2CA12CA1CA2CA4
SCHEMBL13398750 0.87 PTGER2 (0.52) PTGER2CA12CA1CA2CA4
SCHEMBL13626605 0.87 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 8 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-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 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
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
CN-1275123-A Prostaglandin agonists and their use to treat bone disorders PFIZER (US) 2000-11-29 CN 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 1/4885CA12 4207/4885CA1 4803/4885

“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.