SCHEMBL3551050

SCHEMBL3551050

O=C(O)C=C(c1ccc(OC2CCCCO2)cc1)c1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
PTPN1 P18031 3/20 0.35
HRH3 Q9Y5N1 2/20 0.34
KCNH2 Q12809 1/20 0.34
S1PR3 Q99500 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HSD11B1 P28845 1/20 0.32
PDE4B Q07343 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL3551048 1.00 KMT2A (0.42) KMT2AMEN1CTSDBACE1PTPN1
SCHEMBL13318197 0.86 CTSD (0.39) KMT2AMEN1CTSDBACE1PTPN1
SCHEMBL14567153 0.86 CTSD (0.39) KMT2AMEN1CTSDBACE1PTPN1
SCHEMBL5427612 0.83 MEN1 (0.44) KMT2AMEN1CTSDBACE1PTPN1
SCHEMBL13350339 0.79 MEN1 (0.39) KMT2AMEN1CTSDBACE1PTPN1
SCHEMBL13461881 0.78 MEN1 (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3543503 0.78 MEN1 (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3543506 0.78 MEN1 (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL225085 0.76 KMT2A (0.65) KMT2AMEN1SMN1; SMN2LMNANPC1
SCHEMBL11768118 0.76 MEN1 (0.48) KMT2AMEN1SMN1; SMN2LMNANPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
EP-2061760-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2009-05-27 EP disclosed
EP-1924546-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-05-28 EP disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 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 (4 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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 KMT2A 1619/4885MEN1 1317/4885CTSD 1906/4885
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX KMT2A 2325/4885MEN1 991/4885CTSD 2249/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX KMT2A 2325/4885MEN1 991/4885CTSD 2249/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC KMT2A 1240/4885MEN1 684/4885CTSD 1897/4885

“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.