SCHEMBL4576394

SCHEMBL4576394

CCOP(=O)(OCC)OOn1nnc2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPSE Q9Y251 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL29394827 0.87 SMN1; SMN2 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL76069 0.87 SMN1; SMN2 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL17973539 0.81 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL1058740 0.79 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
Benzotriazole SCHEMBL28307173 0.78 SMN1; SMN2 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL10284047 0.78 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL22597948 0.77 POLB (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2HPSE
SCHEMBL17839910 0.76 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL22492305 0.76 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL18507798 0.74 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates FRUTAROM LTD. (IL) 2008-09-11 US claimed
EP-1725250-A2 METHOD FOR THE PREPARATION OF PEPTIDE-OLIGONUCLEOTIDE CONJUGATES FRUTAROM LTD. (IL) 2006-11-29 EP claimed
WO-2005076744-A2 METHOD FOR THE PREPARATION OF PEPTIDE-OLIGONUCLEOTIDE CONJUGATES FRUTAROM LTD. (IL) 2005-08-25 WO claimed
US-20220373541-A1 Tri-functional Crosslinking Reagents ETH ZURICH (CH) 2022-11-24 US disclosed
US-11385225-B2 Tri-functional crosslinking reagents ETH ZURICH (CH) 2022-07-12 US disclosed
US-20180328922-A1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ETH ZURICH (CH) 2018-11-15 US disclosed
US-9766235-B2 Trifunctional crosslinking reagents ETH ZURICH (CH) 2017-09-19 US disclosed
EP-2670755-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 EP disclosed
EP-2942351-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 EP disclosed
EP-2942351-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH Zurich (CH) 2015-11-11 EP disclosed
US-20140011212-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZURICH (CH) 2014-01-09 US disclosed
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates FRUTAROM LTD. (IL) 2008-09-11 US disclosed
EP-1725250-A2 METHOD FOR THE PREPARATION OF PEPTIDE-OLIGONUCLEOTIDE CONJUGATES FRUTAROM LTD. (IL) 2006-11-29 EP disclosed
WO-2005076744-A2 METHOD FOR THE PREPARATION OF PEPTIDE-OLIGONUCLEOTIDE CONJUGATES FRUTAROM LTD. (IL) 2005-08-25 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-11385225-B2 Tri-functional crosslinking reagents ADGRF1, FCGR3B, FCGR2A ALDH1A1 559/4885NPC1 4513/4885RAB9A 4742/4885
US-20220373541-A1 Tri-functional Crosslinking Reagents ADGRF1, SIGLEC7, ADGRE5 ALDH1A1 182/4885NPC1 4640/4885RAB9A 4594/4885
US-20180328922-A1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ADGRF1, FCGR3B, FCGR2A ALDH1A1 559/4885NPC1 4513/4885RAB9A 4742/4885
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates VIP, PTMS, SSTR4 ALDH1A1 4552/4885NPC1 2640/4885RAB9A 4812/4885

“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.