SCHEMBL14701712

SCHEMBL14701712

O=C(CCSSc1ccccn1)NCCOCCOOCCOOCCOOCCOCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL30621106 0.97 HPGD (0.43) HPGDSMN1; SMN2NPC1RAB9ADDB1
SCHEMBL31121260 0.97 HPGD (0.43) HPGDSMN1; SMN2NPC1RAB9ADDB1
SCHEMBL30915198 0.97 HPGD (0.43) HPGDSMN1; SMN2NPC1RAB9ADDB1
SCHEMBL29702364 0.97 HPGD (0.43) HPGDSMN1; SMN2NPC1RAB9ADDB1
SCHEMBL19725977 0.97 HPGD (0.43) HPGDSMN1; SMN2NPC1RAB9ADDB1
SCHEMBL2607961 0.97 HPGD (0.43) HPGDSMN1; SMN2NPC1RAB9ADDB1
SCHEMBL12107853 0.97 HPGD (0.43) HPGDSMN1; SMN2NPC1RAB9ADDB1
SCHEMBL17256399 0.97 HPGD (0.43) HPGDSMN1; SMN2NPC1RAB9ADDB1
SCHEMBL18084278 0.96 HPGD (0.44) HPGDSMN1; SMN2NPC1RAB9ADDB1
SCHEMBL14701730 0.91 HPGD (0.41) HPGDSMN1; SMN2NPC1RAB9ADDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130041133-A1 NOVEL SINGLE CHEMICAL ENTITIES AND METHODS FOR DELIVERY OF OLIGONUCLEOTIDES BANK OF AMERICA, N.A. 2013-02-14 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-20130041133-A1 NOVEL SINGLE CHEMICAL ENTITIES AND METHODS FOR DELIVERY OF OLIGONUCLEOTIDES PHAX, NSUN3, NSUN2 HPGD 4632/4885SMN1; SMN2 575/4885NPC1 608/4885

“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.