SCHEMBL6554409

SCHEMBL6554409

CC(C)(C)OC(=O)N1CCC(COc2cccc(COc3ccccc3Cl)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
YAP1 P46937 3/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
F2 P00734 2/20 0.46
CSF1R P07333 1/20 0.46
STS P08842 3/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL22265811 0.86 KDM4E (0.54) CSF1RSTSMEN1KMT2AKDM4E
SCHEMBL13096956 0.85 YAP1 (0.60) SLC2A1YAP1CSF1RSTSKDM4E
SCHEMBL17078708 0.84 SLC2A1 (0.60) SLC2A1YAP1CSF1RSTSKDM4E
Acetic Acid SCHEMBL6554412 0.84 F2 (0.51) NPC1RAB9ASMN1; SMN2F2HPGD
SCHEMBL6553037 0.84 F2 (0.52) NPC1RAB9ASMN1; SMN2F2HPGD
SCHEMBL17078825 0.83 SLC2A1 (0.61) SLC2A1YAP1CSF1RKDM4EPKM
SCHEMBL26668458 0.83 SLC2A1 (0.59) SLC2A1CSF1RKDM4EPKMGPR119
SCHEMBL13097087 0.82 SLC2A1 (0.57) SLC2A1CSF1RKDM4EPKMGPR119
SCHEMBL1034790 0.81 SLC2A1 (0.59) SLC2A1YAP1CSF1RSTSKDM4E
SCHEMBL3185605 0.80 YAP1 (0.56) SLC2A1YAP1CSF1RSTSKDM4E

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
EP-0883405-B1 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-02-25 EP disclosed
US-6414020-B2 ANTIPROTEOLYTIC AMIDINO OR DERIVATIVE USEFUL FOR TREATING PENCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION 3- DIMENSIONAL PHARMACEUTICALS, INC. 2002-07-02 US disclosed
US-20010025041-A1 Amidino protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-27 US disclosed
US-6281206-B1 AMIDINO AND BENZAMIDINO COMPOUNDS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-08-28 US disclosed
US-6225302-B1 Amidino protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-01 US disclosed
US-6133315-A ADMINISTERING TO TREAT PANCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION IN A MAMMAL; COMPOUNDS SUCH AS 2-CHLOROBENZENESULFONIC ACID 3-(3-AMIDINOPROPOXY)-5-METHYLPHENYL ESTER HYDROCHLORIDE 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-10-17 US disclosed
US-6034127-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-07 US disclosed
EP-0883405-A4 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-04-28 EP disclosed
EP-0883405-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-12-16 EP disclosed
WO-1997024135-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-07-10 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-20010025041-A1 Amidino protease inhibitors CTRL, PEPD, PRSS3 SLC2A1 4178/4885YAP1 4875/4885NPC1 1246/4885

“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.