SCHEMBL5046550

SCHEMBL5046550

COC(=O)c1ccc(CCCN(CCCc2cccc(Cl)c2)S(=O)(=O)c2cccnc2)s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 7/20 0.41
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 2/20 0.37

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
SCHEMBL5047966 0.91 PTGER2 (0.43) PTGER2NPC1MEN1GAARAB9A
SCHEMBL5046379 0.84 NPC1 (0.50) NPC1MEN1GAARAB9AKMT2A
SCHEMBL7227270 0.84 MRGPRX4 (0.44) NPC1MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL5725959 0.83 MRGPRX4 (0.43) NPC1RAB9ASMN1; SMN2MRGPRX4MAPT
SCHEMBL5046905 0.81 TAS2R14 (0.50) MEN1KMT2ACA12CA1CA9
SCHEMBL5726349 0.81 MRGPRX4 (0.41) NPC1MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL5724836 0.80 MRGPRX4 (0.46) NPC1RAB9ASMN1; SMN2MRGPRX4MAPT
SCHEMBL5043217 0.80 MRGPRX4 (0.41) GAAMRGPRX4MAPTKDM4ELMNA
SCHEMBL5862640 0.79 MRGPRX4 (0.51) NPC1RAB9ASMN1; SMN2MRGPRX4MAPT
SCHEMBL5048001 0.79 TAS2R14 (0.57) MAPT

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 9 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
EP-1601351-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT Pfizer Products Inc. (US) 2005-12-07 EP disclosed
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PFIZER INC. 2005-09-15 US disclosed
WO-2004078169-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT PFIZER PRODUCTS INC. (US) 2004-09-16 WO 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 PTGER2 1/4885NPC1 3548/4885MEN1 2140/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR PTGER2 4/4885NPC1 1904/4885MEN1 3270/4885

“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.