SCHEMBL5726261

SCHEMBL5726261

COC(=O)Cc1cccc(CNCc2cccc(Oc3cc(Cl)cc(Cl)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC1 Q13547 2/20 0.44
P2RX3 P56373 2/20 0.44
SLC7A5 Q01650 1/20 0.44
FAAH O00519 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FFAR1 O14842 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL5860347 0.82 DAGLA (0.47) P2RX3SLC7A5FAAHLMNA
SCHEMBL12440458 0.82 P2RX3 (0.58) ALDH1A1P2RX3SLC7A5FAAHLMNA
SCHEMBL5725928 0.81 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL13973346 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL5213552 0.79 SLC7A5 (0.55) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL14280737 0.77 FFAR1 (0.53) P2RX3FAAHFFAR1
Methane SCHEMBL27618790 0.77 SLC7A5 (0.54) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL6155174 0.76 SLC7A5 (0.49) ALDH1A1SMN1; SMN2P2RX3SLC7A5GAA
SCHEMBL12400239 0.75 SLC7A5 (0.68) ALDH1A1SMN1; SMN2KDM4ESLC7A5LMNA
SCHEMBL378633 0.74 SLC7A5 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC1

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 10 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-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 (2 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 ALDH1A1 2216/4885SMN1; SMN2 2441/4885HTT 4781/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 ALDH1A1 2216/4885SMN1; SMN2 2441/4885HTT 4781/4885

“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.