SCHEMBL26720245

SCHEMBL26720245

CCOP(=O)(OCC)C(C)=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARD Q03181 2/20 0.37
NR1I2 O75469 1/20 0.35
HMGCR P04035 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
SCHEMBL7456903 0.79 TSHR (0.42) TSHRCA12CA1CA2CA9
SCHEMBL848744 0.77 CA12 (0.40) TSHRCA12CA1CA2CA9
SCHEMBL19195262 0.73
SCHEMBL7104114 0.72 CA12 (0.40) TSHRCA12CA1CA2CA9
SCHEMBL29616127 0.71 KMT2A (0.39) TSHRCA12CA1CA2CA9
SCHEMBL18512540 0.71 CA12 (0.39) TSHRCA12CA1CA2CA9
SCHEMBL18512541 0.71 CA12 (0.39) TSHRCA12CA1CA2CA9
SCHEMBL282713 0.70 CA12 (0.50) TSHRCA12CA1CA2CA9
SCHEMBL3229087 0.70 CA12 (0.38) TSHRCA12CA1CA2CA9
SCHEMBL20211819 0.70 CA12 (0.42) TSHRCA12CA1CA2CA9

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-11807658-B2 CD73 inhibitors ORIC PHARMACEUTICALS, INC. (US) 2023-11-07 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-11807658-B2 CD73 inhibitors ENTPD5, NT5E, ENTPD1 TSHR 3188/4885CA12 3586/4885CA1 2856/4885

“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.