SCHEMBL5046764

SCHEMBL5046764

CCCCCC(OC(C)=O)c1ccc(CBr)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FAAH O00519 4/20 0.35
BDKRB2 P30411 1/20 0.35
GLS2 Q9UI32 3/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PABPC1 P11940 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34

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
SCHEMBL9795863 0.96 SIGMAR1 (0.39) LTA4HSIGMAR1BDKRB2PABPC1APOBEC3A
SCHEMBL9796301 0.84 CNR2 (0.36) LTA4HCNR2ALDH1A1CYSLTR2CYSLTR1
SCHEMBL5043409 0.84 UTS2R (0.42) SIGMAR1GLS2ALDH1A1
SCHEMBL9796286 0.83 CYSLTR2 (0.37) CNR2ALDH1A1CYSLTR2CYSLTR1
SCHEMBL27477569 0.81 ALDH1A1 (0.49) CNR2ALDH1A1PABPC1APOBEC3AAPOBEC3G
SCHEMBL9340624 0.81 ALDH1A1 (0.49) CNR2ALDH1A1PABPC1APOBEC3AAPOBEC3G
SCHEMBL9795950 0.80 PRKCA (0.36) CNR2PABPC1APOBEC3AAPOBEC3G
SCHEMBL9796283 0.79 UTS2R (0.43) SIGMAR1PABPC1APOBEC3AAPOBEC3G
SCHEMBL6666615 0.77 PABPC1 (0.50) CNR2ALDH1A1PABPC1APOBEC3AAPOBEC3G
SCHEMBL9796109 0.75 ALDH1A1 (0.41) FAAHCNR2CNR1ALDH1A1CYSLTR2

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 LTA4H 80/4885SIGMAR1 3106/4885FAAH 483/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 LTA4H 80/4885SIGMAR1 3106/4885FAAH 483/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 LTA4H 80/4885SIGMAR1 3106/4885FAAH 483/4885
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR LTA4H 302/4885SIGMAR1 1729/4885FAAH 455/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR LTA4H 43/4885SIGMAR1 1942/4885FAAH 270/4885

“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.