SCHEMBL5048129

SCHEMBL5048129

CC(C)(C)OC(=O)c1ccc(CCC=O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
PRNP P04156 1/20 0.35
RECQL P46063 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC6 Q9UBN7 3/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PRSS1 P07477 2/20 0.32
TMPRSS15 P98073 2/20 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
SCHEMBL8982537 0.92 HPGD (0.40) ALDH1A1HPGDNPSR1TSHRMAPK1
SCHEMBL8570240 0.81 HPGD (0.43) ALDH1A1HPGDNPSR1TSHRMAPK1
Hydrochloric Acid SCHEMBL2413233 0.81 HPGD (0.40) ALDH1A1HPGDNPSR1TSHRMAPK1
SCHEMBL8565291 0.81 LMNA (0.49) ALDH1A1HPGDNPSR1TSHRMAPK1
SCHEMBL26244529 0.80 HPGD (0.47) ALDH1A1HPGDNPSR1TSHRMAPK1
SCHEMBL21199747 0.79 POLB (0.46) ALDH1A1HPGDNPSR1TSHRMAPK1
SCHEMBL5050275 0.79 HPGD (0.42) ALDH1A1HPGDNPSR1TSHRMAPK1
SCHEMBL8564545 0.79 HPGD (0.45) ALDH1A1HPGDNPSR1TSHRMAPK1
SCHEMBL8982459 0.79 HPGD (0.45) ALDH1A1HPGDNPSR1TSHRMAPK1
SCHEMBL8982490 0.79 HPGD (0.40) ALDH1A1HPGDNPSR1TSHRMAPK1

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 19 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-0946501-B1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER (US) 2006-05-31 EP disclosed
US-6998423-B2 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. (US) 2006-02-14 US 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 US disclosed
US-6649657-B2 Administering amide to treat osteoporosis PFIZER INC. 2003-11-18 US disclosed
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLEY Q (US) 2003-06-05 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
US-6492412-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OF SULFONAMIDE OR ALKANOY OR AMIDE DERIVATIVE CONTAINING HETERO OR AROMATIC RINGS TO TREAT OSTEOPOROSIS, OSTEOTOMY, CHILDHOOD IDIOPATHIC BOEN LOSS ETC. PFIZER, INC. 2002-12-10 US disclosed
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLY O (US) 2002-02-07 US disclosed
US-6344485-B1 Method for treating glaucoma PFIZER INC. 2002-02-05 US disclosed
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 US disclosed
EP-1000619-A2 Method for treating glaucoma Pfizer Products Inc. (US) 2000-05-17 EP disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 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 (5 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 ALDH1A1 2216/4885HPGD 20/4885NPSR1 704/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 ALDH1A1 2216/4885HPGD 20/4885NPSR1 704/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 ALDH1A1 2216/4885HPGD 20/4885NPSR1 704/4885
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR ALDH1A1 3293/4885HPGD 787/4885NPSR1 732/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR ALDH1A1 1987/4885HPGD 25/4885NPSR1 372/4885

“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.