SCHEMBL3334612

SCHEMBL3334612

O=[Mo+2]=O.S=C(S)N(c1cnccn1)N(C(=S)[S-])N1CCNCC1.S=C(S)N(c1cnccn1)N(C(=S)[S-])N1CCNCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 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
SCHEMBL3332526 0.81 — —
SCHEMBL3334459 0.80 — —
SCHEMBL3336001 0.80 KDM4E (0.31) —
SCHEMBL3335615 0.80 — —
SCHEMBL3337125 0.78 — —
SCHEMBL3336327 0.78 POLB (0.34) —
SCHEMBL3332187 0.78 — —
SCHEMBL3333747 0.78 NPC1 (0.33) —
SCHEMBL3334781 0.73 CA12 (0.32) —
SCHEMBL3333334 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 P2RX7 3088/4885

“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.

Send feedback