SCHEMBL3333333

SCHEMBL3333333

O=[Mo+2]=O.S=C([S-])N(N1CCNCC1)N(C(=S)S)N1CCCCC1.S=C([S-])N(N1CCNCC1)N(C(=S)S)N1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.32
▸ CHKA P35790 1/20 0.32

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 0.98 CA12 (0.30) CA2
SCHEMBL3334781 0.94 CA12 (0.32) CA2
SCHEMBL3335172 0.91 CA1 (0.33) CA2
SCHEMBL3336202 0.91 CA1 (0.33) CA2
SCHEMBL3333025 0.89 ALDH1A1 (0.32) CA2
SCHEMBL3334521 0.86 CA12 (0.32) CA2
SCHEMBL3335262 0.85 — —
SCHEMBL3340036 0.85 — —
SCHEMBL3333741 0.83 — —
SCHEMBL3340009 0.82 — —

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 CA2 4182/4885CHKA 1665/4885

“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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