SCHEMBL5046403

SCHEMBL5046403

CC(C)(C)OC(=O)COc1cccc(CNCc2ccc(-c3cccnc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
SMPD1 P17405 1/20 0.48
MAPK1 P28482 1/20 0.47
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
PSMB5 P28074 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
ROCK1 Q13464 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
EPHX1 P07099 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL5048113 0.90 SMN1; SMN2 (0.45) KDM4EMAPK1PSMB5SMN1; SMN2ROCK2
SCHEMBL5049381 0.90 ROCK2 (0.53) KDM4EMAPK1SMN1; SMN2ROCK2CYP3A4
SCHEMBL5050279 0.87 KDM4E (0.46) KDM4EMAPK1SMN1; SMN2ROCK2CYP3A4
SCHEMBL5043264 0.86 SMN1; SMN2 (0.49) KDM4EMAPK1SMN1; SMN2ROCK2CYP3A4
SCHEMBL7646083 0.86 MAPK1 (0.55) KDM4ESMPD1MAPK1PSMB5SMN1; SMN2
SCHEMBL5046663 0.83 L3MBTL1 (0.45) KDM4EMAPK1SMN1; SMN2ALDH1A1HDAC1
SCHEMBL5048180 0.82 ADRB2 (0.44) KDM4EMAPK1SMN1; SMN2ROCK2CYP3A4
SCHEMBL5726741 0.82 PTGER2 (0.54) SMPD1PSMB5PTGER2
SCHEMBL5049384 0.81 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2POLBEPHX2HDAC1
SCHEMBL5043167 0.80 PTGER2 (0.64) PSMB5PTGER2

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 17 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
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-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-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP 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-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO 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 KDM4E 3595/4885SMPD1 197/4885MAPK1 2761/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 KDM4E 3595/4885SMPD1 197/4885MAPK1 2761/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 KDM4E 3595/4885SMPD1 197/4885MAPK1 2761/4885

“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.