SCHEMBL3337263

SCHEMBL3337263

S=C(S)Nc1nccs1.[N-]=[N+]=NNC(=S)S[Mo](=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.38
RAB9A P51151 7/20 0.35
NPC1 O15118 6/20 0.35
ALDH1A1 P00352 5/20 0.35
GAA P10253 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 2/20 0.35
NFKB1 P19838 2/20 0.35
BLM P54132 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3331870 0.77 RAB9A (0.33) RAB9ANPC1SMN1; SMN2KMT2ANFKB1
SCHEMBL3061588 0.75
SCHEMBL4444041 0.75
SCHEMBL3337245 0.69
Ethylamine SCHEMBL14844391 0.67 PKM (0.49) ACP1RAB9ANPC1ALDH1A1GAA
SCHEMBL3337233 0.67
SCHEMBL11169181 0.65 PKM (0.47) ACP1RAB9ANPC1ALDH1A1GAA
SCHEMBL27943987 0.63 RAB9A (0.51) ACP1RAB9ANPC1ALDH1A1GAA
SCHEMBL3064586 0.60
SCHEMBL16046754 0.60 SMN1; SMN2 (0.51) RAB9ANPC1ALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125762-B1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL INT RESEARCH (NL) 2013-12-11 EP disclosed
US-8188017-B2 Organic molybdenum compounds and oil compositions containing the same SHELL OIL COMPANY (US) 2012-05-29 US disclosed
US-20100144568-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL OIL COMPANY 2010-06-10 US disclosed
EP-2125762-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME Shell Internationale Research Maatschappij B.V. (NL) 2009-12-02 EP disclosed
WO-2008092944-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-08-07 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-20100144568-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME F12, C5, C9 ACP1 2584/4885RAB9A 4669/4885NPC1 1493/4885

“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.