SCHEMBL5043281

SCHEMBL5043281

Cn1cnc(S(=O)(=O)N(Cc2ccc(-c3ncccn3)cc2)Cc2cccc(OCC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
PGGT1B P53609 2/20 0.46
PTGER2 P43116 5/20 0.44
CA12 O43570 7/20 0.42
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
CA4 P22748 7/20 0.42
CA9 Q16790 7/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL8211041 0.89 CA12 (0.52) PTGER2CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL5046437 0.88 CA12 (0.51) PTGER2CA12CA1CA2CA4
SCHEMBL5046554 0.88 PTGER2 (0.51) PTGER2CA12CA1CA2CA4
SCHEMBL5048042 0.86 PTGER2 (0.58) FNTAFNTBPGGT1BPTGER2CA12
SCHEMBL5046365 0.85 CA12 (0.57) PTGER2CA12CA1CA2CA4
SCHEMBL5043018 0.81 TLR7 (0.50) FNTAFNTBPGGT1BPTGER2NR1H2
SCHEMBL6059327 0.80 CA12 (0.51) PTGER2CA12CA1CA2CA4
SCHEMBL6058775 0.80 MEN1 (0.49) FNTAFNTBPGGT1BPTGER2NR1H2
SCHEMBL5046681 0.80 PTGER2 (0.44) PTGER2CA12CA1CA2CA4
SCHEMBL5046369 0.80 CA12 (0.66) 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 9 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
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-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 (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-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR FNTA 1415/4885FNTB 1698/4885PGGT1B 217/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR FNTA 795/4885FNTB 2314/4885PGGT1B 95/4885

“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.