SCHEMBL5050313

SCHEMBL5050313

O=C(O)c1ccc(CCCN(CCSc2cccc(Cl)c2)S(=O)(=O)c2cccnc2)s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 9/20 0.36
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA4 P22748 4/20 0.34
CA9 Q16790 4/20 0.34
TBXA2R P21731 2/20 0.34
TBXAS1 P24557 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33

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
SCHEMBL5047966 0.87 PTGER2 (0.43) PTGER2CA12CA1CA2CA4
SCHEMBL5725169 0.83 MRGPRX4 (0.38) MRGPRX4
SCHEMBL5048157 0.81 PTGER2 (0.42) PTGER2CA12CA1CA2CA4
SCHEMBL5046550 0.79 PTGER2 (0.41) PTGER2CA12CA1CA2CA4
SCHEMBL5046905 0.76 TAS2R14 (0.50) CA12CA1CA9MRGPRX4TAS2R14
SCHEMBL5725085 0.72 MRGPRX4 (0.33) MRGPRX4
SCHEMBL5043227 0.72 TAS2R14 (0.47) CA12CA1CA2CA4CA9
SCHEMBL5042992 0.71 NPC1 (0.41) TBXAS1MKNK1MKNK2
SCHEMBL5047986 0.71 NPC1 (0.51) MKNK1MKNK2
SCHEMBL4949218 0.71 CA12 (0.43) 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 5 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-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PFIZER INC. 2005-09-15 US 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

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 PTGER2 1/4885CA12 4228/4885CA1 4613/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR PTGER2 4/4885CA12 4780/4885CA1 4650/4885

“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.