SCHEMBL5043024

SCHEMBL5043024

CCNC(=O)N(CCCc1cccc(Cl)c1)CCCc1ccc(C(=O)OC(C)(C)C)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
CTSL P07711 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
RIPK1 Q13546 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
ALDH1A1 P00352 4/20 0.34
THRB P10828 1/20 0.34
AKT3 Q9Y243 1/20 0.34
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL5046689 0.87 PLAAT3 (0.41) SMN1; SMN2NPC1RAB9AHTTPLAAT3
SCHEMBL5727081 0.85 GRM5 (0.38) KDM4ECTSLSMN1; SMN2TRPV1RIPK1
SCHEMBL5043004 0.84 KDM4E (0.41) KDM4ECTSLSMN1; SMN2NPC1RAB9A
SCHEMBL5726591 0.82 BMP1 (0.34) KDM4ERIPK1ALDH1A1HPGDKMT2A
SCHEMBL5043429 0.82 HTT (0.39) KDM4EHTTPLAAT3PLAAT5PLAAT2
SCHEMBL5725632 0.80 KDM4E (0.35) KDM4ECTSLSMN1; SMN2RIPK1MRGPRX4
SCHEMBL5047954 0.79 PLAAT3 (0.42) SMN1; SMN2NPC1RAB9AHTTPLAAT3
SCHEMBL5724836 0.79 MRGPRX4 (0.46) KDM4ESMN1; SMN2NPC1RAB9AHTT
SCHEMBL5043616 0.79 PLAAT3 (0.41) SMN1; SMN2NPC1RAB9AHTTPLAAT3
SCHEMBL5725147 0.77 MRGPRX4 (0.43) KDM4ESMN1; SMN2NPC1RAB9AHTT

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 KDM4E 3785/4885CTSL 2192/4885SMN1; SMN2 3228/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR KDM4E 3926/4885CTSL 1309/4885SMN1; SMN2 3405/4885

“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.