SCHEMBL5725632

SCHEMBL5725632

CC(C)(C)OC(=O)c1ccc(CCCN(CCCc2cccc(Cl)c2)S(=O)(=O)CCCCl)s1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PKM P14618 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MAP2K1 Q02750 1/20 0.32
CTSL P07711 1/20 0.32
RIPK1 Q13546 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKT3 Q9Y243 1/20 0.31
AOC3 Q16853 1/20 0.31
LMNA P02545 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL5726591 0.93 BMP1 (0.34) KDM4EHSP90AA1HSP90AB1TAAR1RIPK1
SCHEMBL5726690 0.86 MRGPRX4 (0.39) MRGPRX4TAAR1SMN1; SMN2
SCHEMBL5043429 0.84 HTT (0.39) KDM4EMRGPRX4HSP90AA1HSP90AB1TAAR1
SCHEMBL5726349 0.82 MRGPRX4 (0.41) KDM4EMRGPRX4TAAR1SMN1; SMN2LMNA
SCHEMBL5727081 0.82 GRM5 (0.38) KDM4EMRGPRX4HSP90AA1HSP90AB1TAAR1
SCHEMBL5725959 0.81 MRGPRX4 (0.43) KDM4EMRGPRX4HSP90AA1TAAR1SMN1; SMN2
SCHEMBL5043024 0.80 KDM4E (0.37) KDM4EMRGPRX4TAAR1CTSLRIPK1
SCHEMBL5043004 0.80 KDM4E (0.41) KDM4EMRGPRX4TAAR1CTSLSMN1; SMN2
SCHEMBL5726508 0.80 ALDH1A1 (0.37) MRGPRX4TAAR1
SCHEMBL5725567 0.79 TAS2R14 (0.37) MRGPRX4TAAR1SMN1; SMN2AOC3

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 KDM4E 3595/4885MRGPRX4 332/4885HSP90AA1 1507/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 KDM4E 3595/4885MRGPRX4 332/4885HSP90AA1 1507/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 KDM4E 3595/4885MRGPRX4 332/4885HSP90AA1 1507/4885

“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.