SCHEMBL3334781

SCHEMBL3334781

O=[Mo+2]=O.S=C([S-])N(N1CCNCC1)N(C(=S)S)N1CCNCC1.S=C([S-])N(N1CCNCC1)N(C(=S)S)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3335918 0.95 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL3333333 0.94 CA2 (0.32) CA2
SCHEMBL3334521 0.91 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL3335262 0.87 — —
SCHEMBL3333025 0.84 ALDH1A1 (0.32) CA12CA1CA2CA9HSD17B10
SCHEMBL3334558 0.84 — —
SCHEMBL3335172 0.83 CA1 (0.33) CA12CA1CA2CA9HSD17B10
SCHEMBL3336202 0.83 CA1 (0.33) CA12CA1CA2CA9HSD17B10
SCHEMBL3334706 0.80 — —
SCHEMBL3339381 0.80 CA12 (0.37) CA12CA1CA2CA9

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 3 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

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 CA12 2867/4885CA1 3468/4885CA2 4182/4885

“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.

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