SCHEMBL5049384

SCHEMBL5049384

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
HDAC1 Q13547 2/20 0.48
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
BCHE P06276 1/20 0.45
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL5725590 0.91 HDAC1 (0.53) SMN1; SMN2HDAC1KMT2AGAAKDM4E
SCHEMBL12857763 0.87 SMN1; SMN2 (0.55) SMN1; SMN2HDAC1KMT2AGAAKDM4E
SCHEMBL13905369 0.87 EPHX2 (0.59) SMN1; SMN2HDAC1KMT2AGAAKDM4E
SCHEMBL15876016 0.85 SMN1; SMN2 (0.45) SMN1; SMN2HDAC1KMT2ABCHEMEN1
SCHEMBL5049381 0.84 ROCK2 (0.53) SMN1; SMN2HDAC1KMT2AKDM4EMEN1
SCHEMBL5043264 0.84 SMN1; SMN2 (0.49) SMN1; SMN2HDAC1KMT2AKDM4EBCHE
SCHEMBL5048113 0.83 SMN1; SMN2 (0.45) SMN1; SMN2HDAC1KMT2AKDM4EBCHE
SCHEMBL5046663 0.82 L3MBTL1 (0.45) SMN1; SMN2HDAC1KMT2AKDM4EBCHE
SCHEMBL5048180 0.81 ADRB2 (0.44) SMN1; SMN2HDAC1KMT2AGAAKDM4E
SCHEMBL5046403 0.81 KDM4E (0.51) SMN1; SMN2HDAC1KDM4EEPHX2POLB

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 7 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
WO-2005027931-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS COMPRISING COMBINATIONS OF 2-ALKYLIDENE-19-NOR-VITAMIN D DERIVATIVES AND AN EP2 OR EP4 SELECTIVE AGONIST PFIZER PRODUCTS INC. (US) 2005-03-31 WO disclosed
US-20050065133-A1 Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and an EP2 or EP4 selective agonist PFIZER INC 2005-03-24 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
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 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 (1 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-20050065133-A1 Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and an EP2 or EP4 selective agonist VDR, CYP24A1, CYP2R1 SMN1; SMN2 2867/4885HDAC1 3094/4885KMT2A 2635/4885

“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.