SCHEMBL5725201

SCHEMBL5725201

CC(C)(C)OC(=O)c1ccc(CCCNCCSc2cccc(Cl)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.37
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 3/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAOB P27338 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL5043004 0.85 KDM4E (0.41) MRGPRX4KDM4EALDH1A1LMNAHPGD
SCHEMBL5725085 0.82 MRGPRX4 (0.33) MRGPRX4KDM4EALDH1A1MAPK1LMNA
SCHEMBL5043586 0.77 ALDH1A1 (0.39) KDM4EALDH1A1LMNAPKMHPGD
SCHEMBL5725633 0.75 TAAR1 (0.38) KDM4EHPGDCYP1A2CYP2C19MTNR1A
SCHEMBL5043162 0.74 MRGPRX4 (0.48) MRGPRX4KDM4EALDH1A1LMNAPKM
SCHEMBL5727081 0.72 GRM5 (0.38) MRGPRX4KDM4EALDH1A1HPGD
SCHEMBL5725500 0.70 KDM4E (0.55) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL5043024 0.70 KDM4E (0.37) MRGPRX4KDM4EALDH1A1HPGDKMT2A
SCHEMBL8570240 0.69 HPGD (0.43) MRGPRX4ALDH1A1MAPK1LMNAHPGD
SCHEMBL5726025 0.69 HTR1A (0.48) KDM4EALDH1A1LMNAPKMTSHR

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 MRGPRX4 332/4885KDM4E 3595/4885ALDH1A1 2216/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 MRGPRX4 332/4885KDM4E 3595/4885ALDH1A1 2216/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 MRGPRX4 332/4885KDM4E 3595/4885ALDH1A1 2216/4885

“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.