SCHEMBL5046381

SCHEMBL5046381

CC(C)(C)OC(=O)COc1cccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 13/20 0.82
CA12 O43570 4/20 0.63
CA1 P00915 4/20 0.63
CA2 P00918 4/20 0.63
CA4 P22748 4/20 0.63
CA9 Q16790 4/20 0.63

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
SCHEMBL6281587 0.93 PTGER2 (0.71) PTGER2CA12CA1CA2CA4
SCHEMBL1147570 0.91 PTGER2 (0.81) PTGER2CA12CA1CA2CA4
Evatanepag SCHEMBL533264 0.90 PTGER2 (1.00) PTGER2CA12CA1CA2CA4
Evatanepag SCHEMBL29376960 0.90 PTGER2 (1.00) PTGER2CA12CA1CA2CA4
SCHEMBL13407391 0.90 PTGER2 (0.86) PTGER2CA12CA1CA2CA4
Evatanepag SCHEMBL1147493 0.90 PTGER2 (1.00) PTGER2CA12CA1CA2CA4
SCHEMBL6281961 0.90 PTGER2 (0.67) PTGER2CA12CA1CA2CA4
Evatanepag SCHEMBL1147489 0.90 PTGER2 (0.98) PTGER2CA12CA1CA2CA4
Evatanepag SCHEMBL1147494 0.90 PTGER2 (0.98) PTGER2CA12CA1CA2CA4
Evatanepag SCHEMBL1147496 0.90 PTGER2 (0.98) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-20050065133-A1 Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and an EP2 or EP4 selective agonist PFIZER INC 2005-03-24 US 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
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 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-20050065133-A1 Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and an EP2 or EP4 selective agonist VDR, CYP24A1, CYP2R1 PTGER2 4/4885CA12 2289/4885CA1 3183/4885

“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.