SCHEMBL5046569

SCHEMBL5046569

O=C(O)c1ccc(CCCN(CCCc2cccc(Cl)c2)C(=O)Nc2ccc(Cl)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
FFAR1 O14842 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CACNA1G O43497 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38

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
SCHEMBL5047961 0.95 POLB (0.48) CNR1TSHRPOLBLMNAMAPT
SCHEMBL5046387 0.94 POLB (0.42) CNR1TSHRPOLBLMNAMAPT
SCHEMBL5048193 0.92 ALDH1A1 (0.42) CNR1TSHRPOLBLMNAMAPT
SCHEMBL5046417 0.91 ALDH1A1 (0.40) CNR1TSHRPOLBLMNAMAPT
SCHEMBL5049399 0.86 MAPT (0.37) TSHRPOLBLMNAMAPTHTT
SCHEMBL5046452 0.85 PPARG (0.44) TSHRPOLBLMNAMAPTHTT
SCHEMBL5046689 0.85 PLAAT3 (0.41) LMNAHTTALDH1A1THRBMRGPRX4
SCHEMBL5046669 0.84 PTGES (0.47) MAPTALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL5047954 0.83 PLAAT3 (0.42) LMNAMAPTHTTALDH1A1THRB
SCHEMBL5726264 0.83 SLC2A1 (0.43) LMNAHTTALDH1A1MRGPRX4MEN1

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 CNR1 739/4885TSHR 60/4885POLB 3622/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR CNR1 387/4885TSHR 854/4885POLB 2090/4885

“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.