SCHEMBL5043264

SCHEMBL5043264

CC(C)(C)OC(=O)COc1cccc(CNCc2ccc(-c3ncccn3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
HDAC1 Q13547 3/20 0.45
ROCK1 Q13464 6/20 0.43
ROCK2 O75116 5/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
PRKACA P17612 2/20 0.42
PRKX P51817 2/20 0.42
PRKCQ Q04759 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GRK5 P34947 1/20 0.42
BCHE P06276 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GSK3A P49840 1/20 0.40

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
SCHEMBL5049381 0.89 ROCK2 (0.53) SMN1; SMN2HDAC1ROCK1ROCK2CYP3A4
SCHEMBL5046663 0.89 L3MBTL1 (0.45) SMN1; SMN2HDAC1L3MBTL1KDM4EBCHE
SCHEMBL5046403 0.86 KDM4E (0.51) SMN1; SMN2HDAC1ROCK1ROCK2CYP3A4
SCHEMBL5048180 0.86 ADRB2 (0.44) SMN1; SMN2HDAC1ROCK1ROCK2CYP3A4
SCHEMBL5048113 0.85 SMN1; SMN2 (0.45) SMN1; SMN2HDAC1ROCK1ROCK2CYP3A4
SCHEMBL5050279 0.85 KDM4E (0.46) SMN1; SMN2HDAC1ROCK1ROCK2CYP3A4
SCHEMBL5049384 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HDAC1KDM4EBCHEMEN1
SCHEMBL15876016 0.82 SMN1; SMN2 (0.45) SMN1; SMN2HDAC1BCHEMEN1KMT2A
SCHEMBL5046821 0.81 PTGER2 (0.48) SMN1; SMN2HDAC1KDM4EHDAC3HDAC2
SCHEMBL5046565 0.80 MAPT (0.46) SMN1; SMN2CYP3A4CYP2D6L3MBTL1KDM4E

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
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PFIZER INC. 2005-09-15 US disclosed
US-20030078261-A1 Prostaglandin agonists CAMERON KIMBERLY O (US) 2003-04-24 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 (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-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR SMN1; SMN2 3228/4885HDAC1 3221/4885ROCK1 405/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR SMN1; SMN2 3405/4885HDAC1 4747/4885ROCK1 1056/4885

“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.