SCHEMBL5726108

SCHEMBL5726108

CCOC(=O)CCCc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
RECQL P46063 1/20 0.57
KDM4E B2RXH2 3/20 0.55
CYP4Z1 Q86W10 3/20 0.54
CYP4F11 Q9HBI6 1/20 0.54
CYP4F12 Q9HCS2 1/20 0.54
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
MAPK1 P28482 3/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX5 P09917 1/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CACNA1F O60840 1/20 0.46

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
SCHEMBL8864614 0.92 CYP4F2 (0.60) HPGDRECQLKDM4ECYP4Z1GRIN1
SCHEMBL9624511 0.84 HPGD (0.54) HPGDKDM4EGRIN1GRIN2BTDP1
SCHEMBL5842450 0.82 HPGD (0.63) HPGDRECQLKDM4ECYP4Z1MAPK1
SCHEMBL13159627 0.81 CYP4Z1 (0.58) HPGDCYP4Z1CYP4F11CYP4F12CYP4F2
SCHEMBL7907147 0.81 KDM4E (0.58) HPGDKDM4EGRIN1GRIN2BMAPK1
SCHEMBL27502126 0.81 KDM4E (0.52) HPGDRECQLKDM4EGRIN1GRIN2B
SCHEMBL417599 0.80 HPGD (0.53) HPGDRECQLKDM4EGRIN1GRIN2B
SCHEMBL7258250 0.80 CYP4F2 (0.60) HPGDRECQLKDM4ECYP4Z1CYP4F2
SCHEMBL9764795 0.80 GRIN1 (0.58) HPGDKDM4EGRIN1GRIN2BALDH1A1
SCHEMBL8763454 0.79 GRIN1 (0.65) HPGDKDM4EGRIN1GRIN2BALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (3 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 HPGD 20/4885RECQL 1142/4885KDM4E 3595/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 HPGD 20/4885RECQL 1142/4885KDM4E 3595/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 HPGD 20/4885RECQL 1142/4885KDM4E 3595/4885

“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.