SCHEMBL7623838

SCHEMBL7623838

CC(=O)OC[C@H]1O[C@@H](NC(=N)S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 15/20 0.61
▸ CA1 P00915 15/20 0.61
▸ CA2 P00918 15/20 0.61
▸ CA9 Q16790 15/20 0.61
▸ CA14 Q9ULX7 12/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ NR3C1 P04150 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ PTPN1 P18031 1/20 0.47
▸ PRKCA P17252 1/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ PTK2 Q05397 1/20 0.46

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
Bromide SCHEMBL5739204 0.99 CA12 (0.60) CA12CA1CA2CA9CA14
Bromide SCHEMBL2586422 0.99 CA12 (0.60) CA12CA1CA2CA9CA14
Bromide SCHEMBL5743154 0.99 CA12 (0.60) CA12CA1CA2CA9CA14
Bromide SCHEMBL10716847 0.97 CA12 (0.57) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL5741360 0.86 LMNA (0.50) CA12CA1CA2CA9CA14
SCHEMBL13163929 0.86 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL13480225 0.86 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL7151688 0.86 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL7151935 0.86 CA12 (0.67) CA12CA1CA2CA9CA14
SCHEMBL3267262 0.86 CA12 (0.67) CA12CA1CA2CA9CA14

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-20020137672-A1 Radiolabeled annexins KASINA SUDHAKAR (US) 2002-09-26 — — US disclosed
US-6416738-B1 ADMINISTERING TO A RECIPIENT A FIRST CONJUGATE COMPRISING A TARGETING MOIETY AND A MEMBER OF A LIGAND/ANTI-LIGAND BINDING PAIR, THEREAFTER ADMINISTERING TO THE RECIPIENT A CLEARING AGENT, ADMINISTERING SECOND CONJUGATE NEORX CORPORATION 2002-07-09 — — 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-20020137672-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 CA12 1214/4885CA1 1557/4885CA2 2516/4885

“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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