SCHEMBL5509874

SCHEMBL5509874

CCc1nc(-c2ccccc2)nc(C)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 1/20 0.54
PDE4B Q07343 6/20 0.50
PDE4D Q08499 5/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
RXRA P19793 2/20 0.50
NR4A2 P43354 2/20 0.50
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
ADORA3 P0DMS8 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL5014341 0.87 KDM4E (0.42) KDM4ERAB9ATP53HSD17B10KMT2A
SCHEMBL5521948 0.85 KDM4E (0.56) KDM4ERAB9ATP53HSD17B10KMT2A
SCHEMBL4395939 0.85 KDM4E (0.65) KDM4ERAB9ATP53HSD17B10KMT2A
SCHEMBL23575126 0.84 DPP4 (0.42) KDM4ERAB9ATP53HSD17B10KMT2A
SCHEMBL11312445 0.83 KDM4E (0.57) KDM4ERAB9ATP53HSD17B10KMT2A
SCHEMBL28227385 0.79 TSHR (0.71) KDM4ERAB9ATP53HSD17B10KMT2A
SCHEMBL196067 0.78 LMNA (0.49) KDM4ERAB9ATP53HSD17B10KMT2A
SCHEMBL27659546 0.77 KDM4E (0.47) KDM4ERAB9ATP53HSD17B10KMT2A
SCHEMBL10073336 0.76 KDM4E (0.81) KDM4ERAB9ATP53HSD17B10KMT2A
SCHEMBL3576829 0.75 KDM4E (0.57) KDM4ERAB9ATP53HSD17B10KMT2A

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-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
CN-1816518-A Process for the preparation and purification of 2- (alkoxyalkylene) -3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORP (US) 2006-08-09 CN disclosed
EP-1644313-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2006-04-12 EP disclosed
US-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION 2005-02-03 US disclosed
WO-2005007608-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2005-01-27 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 (1 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-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters ACKR3, CCR5, CCRL2 KDM4E 1085/4885RAB9A 1500/4885TP53 4339/4885

“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.