SCHEMBL5048133

SCHEMBL5048133

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SLC2A1 P11166 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTGER2 P43116 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PTGER4 P35408 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL5726264 0.85 SLC2A1 (0.43) MRGPRX4ALDH1A1SLC2A1TAAR1PLAAT3
SCHEMBL5049517 0.85 GRM5 (0.40) MRGPRX4ALDH1A1TAAR1PLAAT3PLAAT5
SCHEMBL5726138 0.85 GRM5 (0.42) MRGPRX4ALDH1A1PTGER2TAAR1PTGER4
SCHEMBL5046669 0.84 PTGES (0.47) ALDH1A1MAPTSLC2A1PLAAT3PLAAT5
SCHEMBL5727377 0.83 TAAR1 (0.39) MRGPRX4ALDH1A1TAAR1PLAAT3PLAAT5
SCHEMBL5725353 0.82 MRGPRX4 (0.40) MRGPRX4ALDH1A1TAAR1PLAAT3PLAAT5
SCHEMBL5725361 0.82 PLAAT3 (0.39) MRGPRX4ALDH1A1MAPTTAAR1PLAAT3
SCHEMBL5726791 0.81 NAAA (0.46) MRGPRX4ALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL2769588 0.81 TAS2R14 (0.39) MRGPRX4TAAR1PLAAT3PLAAT5PLAAT2
SCHEMBL5046689 0.81 PLAAT3 (0.41) MRGPRX4ALDH1A1TAAR1PLAAT3PLAAT5

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
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
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 MRGPRX4 141/4885ALDH1A1 3293/4885MAPT 3918/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR MRGPRX4 199/4885ALDH1A1 1987/4885MAPT 4645/4885

“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.