SCHEMBL5046669

SCHEMBL5046669

CC(C)NC(=O)N(CCCc1cccc(Cl)c1)CCCc1ccc(C(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.47
SLC2A1 P11166 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
AKR1C3 P42330 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5046689 0.87 PLAAT3 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL5726264 0.85 SLC2A1 (0.43) SLC2A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5047954 0.85 PLAAT3 (0.42) PTGESPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5047961 0.85 POLB (0.48) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL5043616 0.84 PLAAT3 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL5046569 0.84 CNR1 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL5048133 0.84 MRGPRX4 (0.39) SLC2A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5048193 0.84 ALDH1A1 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL5727377 0.83 TAAR1 (0.39) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL5046387 0.82 POLB (0.42) ALDH1A1MAPT

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 7 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

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 PTGES 18/4885SLC2A1 1605/4885PLAAT3 1724/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR PTGES 6/4885SLC2A1 3602/4885PLAAT3 271/4885

“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.