SCHEMBL5043556

SCHEMBL5043556

CCCCc1ccc(CN(Cc2cccc(CC(=O)O)c2)S(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.53
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RORC P51449 4/20 0.48

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
SCHEMBL5725536 0.90 ALDH1A1 (0.52) CNR2ALDH1A1HPGDHSD17B10
SCHEMBL4947264 0.87 ALDH1A1 (0.55) CNR2ALDH1A1HPGDHSD17B10
SCHEMBL4946002 0.86 CNR2 (0.65) CNR2ALDH1A1HPGDHSD17B10
SCHEMBL5725083 0.86 ALDH1A1 (0.54) CNR2ALDH1A1HPGDHSD17B10
SCHEMBL5725098 0.86 ALDH1A1 (0.54) CNR2ALDH1A1HPGDHSD17B10
SCHEMBL5724723 0.84 ALDH1A1 (0.56) CNR2ALDH1A1HPGDHSD17B10
SCHEMBL8530599 0.83 ALDH1A1 (0.52) CNR2ALDH1A1HPGDHSD17B10
SCHEMBL5048052 0.81 CNR2 (0.75) CNR2
SCHEMBL5050460 0.81 CNR2 (0.49) CNR2ALDH1A1HPGDHSD17B10
SCHEMBL5050520 0.80 TAS2R14 (0.56) CNR2ALDH1A1HPGDHSD17B10

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 CNR2 244/4885ALDH1A1 3293/4885HPGD 787/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR CNR2 373/4885ALDH1A1 1987/4885HPGD 25/4885

“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.