SCHEMBL9103932

SCHEMBL9103932

O=C(Nc1ccccc1)C1=NOCCS1(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
HTT P42858 4/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
XBP1 P17861 1/20 0.47
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.40
MAOB P27338 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
CCR6 P51684 1/20 0.39
ATM Q13315 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
SCHEMBL11574942 0.72 RAB9A (0.48) RAB9ASMN1; SMN2NPC1HTTKMT2A
Oxycarboxin SCHEMBL18897 0.70 RAB9A (0.56) RAB9ASMN1; SMN2NPC1HTTKMT2A
Oxycarboxin SCHEMBL28267507 0.70 RAB9A (0.56) RAB9ASMN1; SMN2NPC1HTTKMT2A
SCHEMBL9105045 0.69 MAPK1 (0.52) RAB9ASMN1; SMN2NPC1HTTKMT2A
SCHEMBL11748829 0.68 RAB9A (0.50) RAB9ASMN1; SMN2NPC1HTTKMT2A
SCHEMBL9107776 0.67 POLB (0.41) RAB9ASMN1; SMN2NPC1HTTKMT2A
SCHEMBL11632032 0.65 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2NPC1HTTKMT2A
SCHEMBL14132673 0.64 KMT2A (1.00) RAB9ASMN1; SMN2NPC1HTTKMT2A
SCHEMBL11124271 0.63 RAB9A (0.48) RAB9ASMN1; SMN2NPC1HTTKMT2A
SCHEMBL20512531 0.62 TP53 (0.56) RAB9ASMN1; SMN2HTTKMT2AALDH1A1

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-20120142676-A1 Oxathiazine and dithiine oxides as inhibitors of sulfhydryl-dependent biomolecules CHEE GAIK-LEAN (CA) 2012-06-07 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-20120142676-A1 Oxathiazine and dithiine oxides as inhibitors of sulfhydryl-dependent biomolecules HPGDS, SHMT1, QSOX1 RAB9A 4401/4885SMN1; SMN2 4655/4885NPC1 2313/4885

“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.