SCHEMBL13847795

SCHEMBL13847795

CC(C)(C)OC(=O)Nc1ccc(NC(=O)C#Cc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 1/20 0.64
NLRP3 Q96P20 1/20 0.64
PTPN11 Q06124 1/20 0.51
GFER P55789 1/20 0.50
NAMPT P43490 1/20 0.44
CYP17A1 P05093 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
PSMB8 P28062 1/20 0.41
DRD2 P14416 1/20 0.41
LIPE Q05469 1/20 0.41
VCP P55072 1/20 0.41
GLS O94925 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7043137 0.88 PTPN11 (0.59) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13847812 0.80 KDM4E (0.45) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL1250 0.80 NPC1 (0.71) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL775002 0.80 NAMPT (0.56) NPC1RAB9AMEN1KMT2ANAMPT
SCHEMBL14263398 0.80 CYP17A1 (0.50) PTPN11NAMPTCYP17A1PSMB8VCP
SCHEMBL9263110 0.79 NPC1 (0.70) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28301495 0.78 RAB9A (1.00) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13055402 0.78 CYP17A1 (0.59) PTPN11NAMPTCYP17A1SMN1; SMN2PSMB8
SCHEMBL9479696 0.77 MAPT (0.58) RAB9AMEN1KMT2APOLBGFER
SCHEMBL18570243 0.77 CYP17A1 (0.61) NPC1RAB9AMEN1KMT2APTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US 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-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC NPC1 160/4885RAB9A 1582/4885MEN1 836/4885

“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.