SCHEMBL5043429

SCHEMBL5043429

CC(C)(C)OC(=O)c1ccc(CCCN(CCCc2cccc(Cl)c2)S(=O)(=O)c2ccccc2Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
PGR P06401 3/20 0.36
NR1D1 P20393 1/20 0.34
DAGLA Q9Y4D2 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NR1H2 P55055 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HCRTR2 O43614 1/20 0.32
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL5046539 0.87 HTT (0.45) HTTPGRMRGPRX4TAS2R14PLAAT3
SCHEMBL5726591 0.84 BMP1 (0.34) KDM4EHSP90AA1HSP90AB1TAAR1
SCHEMBL5725632 0.84 KDM4E (0.35) MRGPRX4KDM4EHSP90AA1HSP90AB1TAAR1
SCHEMBL5043024 0.82 KDM4E (0.37) HTTMRGPRX4KDM4EPLAAT3PLAAT5
SCHEMBL5727081 0.82 GRM5 (0.38) MRGPRX4KDM4EHSP90AA1HSP90AB1TAAR1
SCHEMBL5046412 0.81 KDM4E (0.40) MRGPRX4TAS2R14KDM4EPLAAT3PLAAT5
SCHEMBL5043004 0.80 KDM4E (0.41) HTTMRGPRX4KDM4EPLAAT3PLAAT5
SCHEMBL5047973 0.78 LMNA (0.46) HTTTAS2R14PLAAT3PLAAT5PLAAT2
SCHEMBL7227270 0.78 MRGPRX4 (0.44) HTTMRGPRX4KDM4EPLAAT3PLAAT5
SCHEMBL5043363 0.78 TAS2R14 (0.39) HTTNR1D1TAS2R14KDM4EPLAAT3

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 HTT 2486/4885PGR 241/4885NR1D1 838/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR HTT 4421/4885PGR 136/4885NR1D1 842/4885

“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.