SCHEMBL5046417

SCHEMBL5046417

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
MAPK1 P28482 2/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
IGF2BP2 Q9Y6M1 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APEX1 P27695 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL5046569 0.91 CNR1 (0.47) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL5047961 0.90 POLB (0.48) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL5046387 0.90 POLB (0.42) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL5048193 0.89 ALDH1A1 (0.42) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL5046452 0.85 PPARG (0.44) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL5049399 0.84 MAPT (0.37) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL5046689 0.82 PLAAT3 (0.41) ALDH1A1LMNATHRBMEN1TP53
SCHEMBL5046669 0.82 PTGES (0.47) ALDH1A1MAPT
SCHEMBL5047954 0.81 PLAAT3 (0.42) ALDH1A1LMNATHRBMAPTMEN1
SCHEMBL5726264 0.81 SLC2A1 (0.43) ALDH1A1LMNAMEN1HTTKMT2A

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 ALDH1A1 3293/4885LMNA 1786/4885GAA 4370/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR ALDH1A1 1987/4885LMNA 1317/4885GAA 3018/4885

“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.