SCHEMBL4943989

SCHEMBL4943989

O=C(O)COc1cccc(CN(Cc2ccc(-c3ccncc3)cc2)S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.80
CA1 P00915 10/20 0.80
CA2 P00918 10/20 0.80
CA4 P22748 10/20 0.80
CA9 Q16790 10/20 0.80
PTGER2 P43116 10/20 0.77

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
SCHEMBL4948341 0.94 CA12 (0.80) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL6059996 0.94 CA12 (0.78) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL5046767 0.92 CA12 (0.76) CA12CA1CA2CA4CA9
SCHEMBL5047904 0.91 CA12 (0.71) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL5047950 0.91 CA12 (0.77) CA12CA1CA2CA4CA9
SCHEMBL13399147 0.91 CA12 (0.74) CA12CA1CA2CA4CA9
SCHEMBL5049403 0.91 CA12 (0.74) CA12CA1CA2CA4CA9
SCHEMBL5049398 0.90 CA12 (0.73) CA12CA1CA2CA4CA9
SCHEMBL4947305 0.89 CA12 (0.75) CA12CA1CA2CA4CA9
SCHEMBL4947759 0.89 CA12 (0.75) CA12CA1CA2CA4CA9

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP claimed
US-20030078261-A1 Prostaglandin agonists CAMERON KIMBERLY O (US) 2003-04-24 US claimed
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1697356-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PROD INC (US) 2008-02-27 EP disclosed
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PFIZER INC. 2007-06-14 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
EP-1697356-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
EP-1601351-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT Pfizer Products Inc. (US) 2005-12-07 EP disclosed
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PFIZER INC. 2005-09-15 US disclosed
WO-2005061497-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-07-07 WO disclosed
WO-2005027931-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS COMPRISING COMBINATIONS OF 2-ALKYLIDENE-19-NOR-VITAMIN D DERIVATIVES AND AN EP2 OR EP4 SELECTIVE AGONIST PFIZER PRODUCTS INC. (US) 2005-03-31 WO 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
WO-2004078169-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT PFIZER PRODUCTS INC. (US) 2004-09-16 WO disclosed
US-20030078261-A1 Prostaglandin agonists CAMERON KIMBERLY O (US) 2003-04-24 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 (4 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 CA12 2289/4885CA1 3183/4885CA2 934/4885
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PDE12, PDE2A, PDE3A CA12 3632/4885CA1 3745/4885CA2 730/4885
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR CA12 4228/4885CA1 4613/4885CA2 1473/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR CA12 4780/4885CA1 4650/4885CA2 3521/4885

“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.